2-[8-formyl-7-hydroxy-6-(2-methoxyethoxy)-4-methyl-2-oxochromen-3-yl]-N-(2-methoxyethyl)acetamide;2-[8-formyl-7-hydroxy-6-(2-methoxyethoxy)-4-methyl-2-oxochromen-3-yl]-N-(2-piperidin-1-ylethyl)acetamide;7-hydroxy-6-(2-methoxyethoxy)-4-methyl-3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-2-oxochromene-8-carbaldehyde;7-hydroxy-6-(2-methoxyethoxy)-4-methyl-3-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-2-oxochromene-8-carbaldehyde;7-hydroxy-6-(2-methoxyethoxy)-4-methyl-2-oxo-3-(3-oxoheptyl)chromene-8-carbaldehyde;7-hydroxy-6-(2-methoxyethoxy)-4-methyl-2-oxo-3-(3-oxohexyl)chromene-8-carbaldehyde;7-hydroxy-6-(2-methoxyethoxy)-4-methyl-2-oxo-3-(2-oxo-2-piperidin-1-ylethyl)chromene-8-carbaldehyde;7-hydroxy-6-(2-methoxyethoxy)-4-methyl-2-oxo-3-(3-oxo-6-piperidin-1-ylhexyl)chromene-8-carbaldehyde

C172H215N9O57 — CID 159340076

IUPAC2-[8-formyl-7-hydroxy-6-(2-methoxyethoxy)-4-methyl-2-oxochromen-3-yl]-N-(2-methoxyethyl)acetamide;2-[8-formyl-7-hydroxy-6-(2-methoxyethoxy)-4-methyl-2-oxochromen-3-yl]-N-(2-piperidin-1-ylethyl)acetamide;7-hydroxy-6-(2-methoxyethoxy)-4-methyl-3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-2-oxochromene-8-carbaldehyde;7-hydroxy-6-(2-methoxyethoxy)-4-methyl-3-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-2-oxochromene-8-carbaldehyde;7-hydroxy-6-(2-methoxyethoxy)-4-methyl-2-oxo-3-(3-oxoheptyl)chromene-8-carbaldehyde;7-hydroxy-6-(2-methoxyethoxy)-4-methyl-2-oxo-3-(3-oxohexyl)chromene-8-carbaldehyde;7-hydroxy-6-(2-methoxyethoxy)-4-methyl-2-oxo-3-(2-oxo-2-piperidin-1-ylethyl)chromene-8-carbaldehyde;7-hydroxy-6-(2-methoxyethoxy)-4-methyl-2-oxo-3-(3-oxo-6-piperidin-1-ylhexyl)chromene-8-carbaldehyde
SMILESCCCC(=O)CCc1c(C)c2cc(OCCOC)c(O)c(C=O)c2oc1=O.CCCCC(=O)CCc1c(C)c2cc(OCCOC)c(O)c(C=O)c2oc1=O.COCCNC(=O)Cc1c(C)c2cc(OCCOC)c(O)c(C=O)c2oc1=O.COCCOc1cc2c(C)c(CC(=O)N3CCCCC3)c(=O)oc2c(C=O)c1O.COCCOc1cc2c(C)c(CC(=O)N3CCN(C)CC3)c(=O)oc2c(C=O)c1O.COCCOc1cc2c(C)c(CC(=O)NCCN3CCCCC3)c(=O)oc2c(C=O)c1O.COCCOc1cc2c(C)c(CCC(=O)CCCN3CCCCC3)c(=O)oc2c(C=O)c1O.COCCOc1cc2c(C)c(CCC(=O)N3CCN(C)CC3)c(=O)oc2c(C=O)c1O
InChIInChI=1S/C25H33NO7.C23H30N2O7.C22H28N2O7.C21H26N2O7.C21H25NO7.C21H26O7.C20H24O7.C19H23NO8/c1-17-19(9-8-18(28)7-6-12-26-10-4-3-5-11-26)25(30)33-24-20(17)15-22(32-14-13-31-2)23(29)21(24)16-27;1-15-16-12-19(31-11-10-30-2)21(28)18(14-26)22(16)32-23(29)17(15)13-20(27)24-6-9-25-7-4-3-5-8-25;1-14-15(4-5-19(26)24-8-6-23(2)7-9-24)22(28)31-21-16(14)12-18(30-11-10-29-3)20(27)17(21)13-25;1-13-14-10-17(29-9-8-28-3)19(26)16(12-24)20(14)30-21(27)15(13)11-18(25)23-6-4-22(2)5-7-23;1-13-14-10-17(28-9-8-27-2)19(25)16(12-23)20(14)29-21(26)15(13)11-18(24)22-6-4-3-5-7-22;1-4-5-6-14(23)7-8-15-13(2)16-11-18(27-10-9-26-3)19(24)17(12-22)20(16)28-21(15)25;1-4-5-13(22)6-7-14-12(2)15-10-17(26-9-8-25-3)18(23)16(11-21)19(15)27-20(14)24;1-11-12-8-15(27-7-6-26-3)17(23)14(10-21)18(12)28-19(24)13(11)9-16(22)20-4-5-25-2/h15-16,29H,3-14H2,1-2H3;12,14,28H,3-11,13H2,1-2H3,(H,24,27);12-13,27H,4-11H2,1-3H3;10,12,26H,4-9,11H2,1-3H3;10,12,25H,3-9,11H2,1-2H3;11-12,24H,4-10H2,1-3H3;10-11,23H,4-9H2,1-3H3;8,10,23H,4-7,9H2,1-3H3,(H,20,22)
InChIKeyLGAKZTSOPNXCFQ-UHFFFAOYSA-N
MW3320.62 g/mol
LogP16.95
Rot. Bonds75

About 2-[8-formyl-7-hydroxy-6-(2-methoxyethoxy)-4-methyl-2-oxochromen-3-yl]-N-(2-methoxyethyl)acetamide;2-[8-formyl-7-hydroxy-6-(2-methoxyethoxy)-4-methyl-2-oxochromen-3-yl]-N-(2-piperidin-1-ylethyl)acetamide;7-hydroxy-6-(2-methoxyethoxy)-4-methyl-3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-2-oxochromene-8-carbaldehyde;7-hydroxy-6-(2-methoxyethoxy)-4-methyl-3-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-2-oxochromene-8-carbaldehyde;7-hydroxy-6-(2-methoxyethoxy)-4-methyl-2-oxo-3-(3-oxoheptyl)chromene-8-carbaldehyde;7-hydroxy-6-(2-methoxyethoxy)-4-methyl-2-oxo-3-(3-oxohexyl)chromene-8-carbaldehyde;7-hydroxy-6-(2-methoxyethoxy)-4-methyl-2-oxo-3-(2-oxo-2-piperidin-1-ylethyl)chromene-8-carbaldehyde;7-hydroxy-6-(2-methoxyethoxy)-4-methyl-2-oxo-3-(3-oxo-6-piperidin-1-ylhexyl)chromene-8-carbaldehyde

2-[8-formyl-7-hydroxy-6-(2-methoxyethoxy)-4-methyl-2-oxochromen-3-yl]-N-(2-methoxyethyl)acetamide;2-[8-formyl-7-hydroxy-6-(2-methoxyethoxy)-4-methyl-2-oxochromen-3-yl]-N-(2-piperidin-1-ylethyl)acetamide;7-hydroxy-6-(2-methoxyethoxy)-4-methyl-3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-2-oxochromene-8-carbaldehyde;7-hydroxy-6-(2-methoxyethoxy)-4-methyl-3-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-2-oxochromene-8-carbaldehyde;7-hydroxy-6-(2-methoxyethoxy)-4-methyl-2-oxo-3-(3-oxoheptyl)chromene-8-carbaldehyde;7-hydroxy-6-(2-methoxyethoxy)-4-methyl-2-oxo-3-(3-oxohexyl)chromene-8-carbaldehyde;7-hydroxy-6-(2-methoxyethoxy)-4-methyl-2-oxo-3-(2-oxo-2-piperidin-1-ylethyl)chromene-8-carbaldehyde;7-hydroxy-6-(2-methoxyethoxy)-4-methyl-2-oxo-3-(3-oxo-6-piperidin-1-ylhexyl)chromene-8-carbaldehyde (PubChem CID 159340076) has the molecular formula C172H215N9O57 and a molecular weight of 3320.62 g/mol. Its IUPAC name is 2-[8-formyl-7-hydroxy-6-(2-methoxyethoxy)-4-methyl-2-oxochromen-3-yl]-N-(2-methoxyethyl)acetamide;2-[8-formyl-7-hydroxy-6-(2-methoxyethoxy)-4-methyl-2-oxochromen-3-yl]-N-(2-piperidin-1-ylethyl)acetamide;7-hydroxy-6-(2-methoxyethoxy)-4-methyl-3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-2-oxochromene-8-carbaldehyde;7-hydroxy-6-(2-methoxyethoxy)-4-methyl-3-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-2-oxochromene-8-carbaldehyde;7-hydroxy-6-(2-methoxyethoxy)-4-methyl-2-oxo-3-(3-oxoheptyl)chromene-8-carbaldehyde;7-hydroxy-6-(2-methoxyethoxy)-4-methyl-2-oxo-3-(3-oxohexyl)chromene-8-carbaldehyde;7-hydroxy-6-(2-methoxyethoxy)-4-methyl-2-oxo-3-(2-oxo-2-piperidin-1-ylethyl)chromene-8-carbaldehyde;7-hydroxy-6-(2-methoxyethoxy)-4-methyl-2-oxo-3-(3-oxo-6-piperidin-1-ylhexyl)chromene-8-carbaldehyde.

Molecular Properties

Compound Name2-[8-formyl-7-hydroxy-6-(2-methoxyethoxy)-4-methyl-2-oxochromen-3-yl]-N-(2-methoxyethyl)acetamide;2-[8-formyl-7-hydroxy-6-(2-methoxyethoxy)-4-methyl-2-oxochromen-3-yl]-N-(2-piperidin-1-ylethyl)acetamide;7-hydroxy-6-(2-methoxyethoxy)-4-methyl-3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-2-oxochromene-8-carbaldehyde;7-hydroxy-6-(2-methoxyethoxy)-4-methyl-3-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-2-oxochromene-8-carbaldehyde;7-hydroxy-6-(2-methoxyethoxy)-4-methyl-2-oxo-3-(3-oxoheptyl)chromene-8-carbaldehyde;7-hydroxy-6-(2-methoxyethoxy)-4-methyl-2-oxo-3-(3-oxohexyl)chromene-8-carbaldehyde;7-hydroxy-6-(2-methoxyethoxy)-4-methyl-2-oxo-3-(2-oxo-2-piperidin-1-ylethyl)chromene-8-carbaldehyde;7-hydroxy-6-(2-methoxyethoxy)-4-methyl-2-oxo-3-(3-oxo-6-piperidin-1-ylhexyl)chromene-8-carbaldehyde
PubChem CID159340076
Molecular FormulaC172H215N9O57
Molecular Weight3320.62 g/mol
Exact Mass3318.42
IUPAC Name2-[8-formyl-7-hydroxy-6-(2-methoxyethoxy)-4-methyl-2-oxochromen-3-yl]-N-(2-methoxyethyl)acetamide;2-[8-formyl-7-hydroxy-6-(2-methoxyethoxy)-4-methyl-2-oxochromen-3-yl]-N-(2-piperidin-1-ylethyl)acetamide;7-hydroxy-6-(2-methoxyethoxy)-4-methyl-3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-2-oxochromene-8-carbaldehyde;7-hydroxy-6-(2-methoxyethoxy)-4-methyl-3-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-2-oxochromene-8-carbaldehyde;7-hydroxy-6-(2-methoxyethoxy)-4-methyl-2-oxo-3-(3-oxoheptyl)chromene-8-carbaldehyde;7-hydroxy-6-(2-methoxyethoxy)-4-methyl-2-oxo-3-(3-oxohexyl)chromene-8-carbaldehyde;7-hydroxy-6-(2-methoxyethoxy)-4-methyl-2-oxo-3-(2-oxo-2-piperidin-1-ylethyl)chromene-8-carbaldehyde;7-hydroxy-6-(2-methoxyethoxy)-4-methyl-2-oxo-3-(3-oxo-6-piperidin-1-ylhexyl)chromene-8-carbaldehyde
SMILESCCCC(=O)CCc1c(C)c2cc(OCCOC)c(O)c(C=O)c2oc1=O.CCCCC(=O)CCc1c(C)c2cc(OCCOC)c(O)c(C=O)c2oc1=O.COCCNC(=O)Cc1c(C)c2cc(OCCOC)c(O)c(C=O)c2oc1=O.COCCOc1cc2c(C)c(CC(=O)N3CCCCC3)c(=O)oc2c(C=O)c1O.COCCOc1cc2c(C)c(CC(=O)N3CCN(C)CC3)c(=O)oc2c(C=O)c1O.COCCOc1cc2c(C)c(CC(=O)NCCN3CCCCC3)c(=O)oc2c(C=O)c1O.COCCOc1cc2c(C)c(CCC(=O)CCCN3CCCCC3)c(=O)oc2c(C=O)c1O.COCCOc1cc2c(C)c(CCC(=O)N3CCN(C)CC3)c(=O)oc2c(C=O)c1O
InChIInChI=1S/C25H33NO7.C23H30N2O7.C22H28N2O7.C21H26N2O7.C21H25NO7.C21H26O7.C20H24O7.C19H23NO8/c1-17-19(9-8-18(28)7-6-12-26-10-4-3-5-11-26)25(30)33-24-20(17)15-22(32-14-13-31-2)23(29)21(24)16-27;1-15-16-12-19(31-11-10-30-2)21(28)18(14-26)22(16)32-23(29)17(15)13-20(27)24-6-9-25-7-4-3-5-8-25;1-14-15(4-5-19(26)24-8-6-23(2)7-9-24)22(28)31-21-16(14)12-18(30-11-10-29-3)20(27)17(21)13-25;1-13-14-10-17(29-9-8-28-3)19(26)16(12-24)20(14)30-21(27)15(13)11-18(25)23-6-4-22(2)5-7-23;1-13-14-10-17(28-9-8-27-2)19(25)16(12-23)20(14)29-21(26)15(13)11-18(24)22-6-4-3-5-7-22;1-4-5-6-14(23)7-8-15-13(2)16-11-18(27-10-9-26-3)19(24)17(12-22)20(16)28-21(15)25;1-4-5-13(22)6-7-14-12(2)15-10-17(26-9-8-25-3)18(23)16(11-21)19(15)27-20(14)24;1-11-12-8-15(27-7-6-26-3)17(23)14(10-21)18(12)28-19(24)13(11)9-16(22)20-4-5-25-2/h15-16,29H,3-14H2,1-2H3;12,14,28H,3-11,13H2,1-2H3,(H,24,27);12-13,27H,4-11H2,1-3H3;10,12,26H,4-9,11H2,1-3H3;10,12,25H,3-9,11H2,1-2H3;11-12,24H,4-10H2,1-3H3;10-11,23H,4-9H2,1-3H3;8,10,23H,4-7,9H2,1-3H3,(H,20,22)
InChIKeyLGAKZTSOPNXCFQ-UHFFFAOYSA-N
XLogP16.95
TPSA880.29 Ų
H-Bond Donors10
H-Bond Acceptors61
Rotatable Bonds75
Heavy Atoms238
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003320.62
LogP ≤ 516.95
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1061

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'cumarine', 'substructure': 'N/A'}

Analyze 2-[8-formyl-7-hydroxy-6-(2-methoxyethoxy)-4-methyl-2-oxochromen-3-yl]-N-(2-methoxyethyl)acetamide;2-[8-formyl-7-hydroxy-6-(2-methoxyethoxy)-4-methyl-2-oxochromen-3-yl]-N-(2-piperidin-1-ylethyl)acetamide;7-hydroxy-6-(2-methoxyethoxy)-4-methyl-3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-2-oxochromene-8-carbaldehyde;7-hydroxy-6-(2-methoxyethoxy)-4-methyl-3-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-2-oxochromene-8-carbaldehyde;7-hydroxy-6-(2-methoxyethoxy)-4-methyl-2-oxo-3-(3-oxoheptyl)chromene-8-carbaldehyde;7-hydroxy-6-(2-methoxyethoxy)-4-methyl-2-oxo-3-(3-oxohexyl)chromene-8-carbaldehyde;7-hydroxy-6-(2-methoxyethoxy)-4-methyl-2-oxo-3-(2-oxo-2-piperidin-1-ylethyl)chromene-8-carbaldehyde;7-hydroxy-6-(2-methoxyethoxy)-4-methyl-2-oxo-3-(3-oxo-6-piperidin-1-ylhexyl)chromene-8-carbaldehyde with MolForge

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Launch Full Analysis

Related Compounds

7-hydroxy-6-(2-methoxyethoxy)-4-methyl-2-oxo-3-(3-oxoheptyl)chromene-8-carbaldehyde
CID 157173329
N-ethyl-3-[8-formyl-7-hydroxy-6-(2-methoxyethoxy)-4-methyl-2-oxochromen-3-yl]propanamide
CID 87407876
3-(8-formyl-7-hydroxy-6-methoxy-2-methyl-4-oxochromen-3-yl)-N-(2-morpholin-4-ylethyl)propanamide;3-(8-formyl-7-hydroxy-2-methyl-4-oxochromen-3-yl)-N-(2-morpholin-4-ylethyl)propanamide;7-hydroxy-2,6-dimethyl-3-(2-morpholin-4-yl-2-oxoethyl)-4-oxochromene-8-carbaldehyde;7-hydroxy-6-methoxy-2-methyl-3-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-4-oxochromene-8-carbaldehyde;7-hydroxy-2-methyl-3-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-4-oxochromene-8-carbaldehyde
CID 165074007
7-hydroxy-5-methoxy-4-methyl-2-oxo-3-(3-oxo-6-piperidin-1-ylhexyl)chromene-8-carbaldehyde
CID 158554120
2-(8-formyl-7-hydroxy-2,6-dimethyl-4-oxochromen-3-yl)-N-(2-piperidin-1-ylethyl)acetamide
CID 158654682
4-ethyl-7-hydroxy-6-methyl-2-oxo-3-(3-oxo-3-piperidin-1-ylpropyl)chromene-8-carbaldehyde
CID 158803043
7-hydroxy-2-methyl-4-oxo-3-(3-oxo-6-piperidin-1-ylhexyl)chromene-8-carbaldehyde
CID 159501939
2,3,5,9-tetramethyl-6-(3-oxo-3-piperidin-1-ylpropyl)furo[3,2-g]chromen-7-one
CID 4914261
2-(7-methoxy-4,8-dimethyl-2-oxochromen-3-yl)-N-(2-morpholin-4-ylethyl)acetamide
CID 4974013
4,11-dimethyl-3-(3-oxo-3-pyrrolidin-1-ylpropyl)-6,7,8,9-tetrahydro-[1]benzofuro[3,2-g]chromen-2-one
CID 52905204
N-(2-piperidin-1-ylethyl)pentanamide
CID 70962894
2-(4,11-dimethyl-2-oxo-6,7,8,9-tetrahydro-[1]benzofuro[3,2-g]chromen-3-yl)-N-(3-methoxypropyl)acetamide
CID 4967955

Frequently Asked Questions

What is the IUPAC name of 2-[8-formyl-7-hydroxy-6-(2-methoxyethoxy)-4-methyl-2-oxochromen-3-yl]-N-(2-methoxyethyl)acetamide;2-[8-formyl-7-hydroxy-6-(2-methoxyethoxy)-4-methyl-2-oxochromen-3-yl]-N-(2-piperidin-1-ylethyl)acetamide;7-hydroxy-6-(2-methoxyethoxy)-4-methyl-3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-2-oxochromene-8-carbaldehyde;7-hydroxy-6-(2-methoxyethoxy)-4-methyl-3-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-2-oxochromene-8-carbaldehyde;7-hydroxy-6-(2-methoxyethoxy)-4-methyl-2-oxo-3-(3-oxoheptyl)chromene-8-carbaldehyde;7-hydroxy-6-(2-methoxyethoxy)-4-methyl-2-oxo-3-(3-oxohexyl)chromene-8-carbaldehyde;7-hydroxy-6-(2-methoxyethoxy)-4-methyl-2-oxo-3-(2-oxo-2-piperidin-1-ylethyl)chromene-8-carbaldehyde;7-hydroxy-6-(2-methoxyethoxy)-4-methyl-2-oxo-3-(3-oxo-6-piperidin-1-ylhexyl)chromene-8-carbaldehyde?
The IUPAC name of 2-[8-formyl-7-hydroxy-6-(2-methoxyethoxy)-4-methyl-2-oxochromen-3-yl]-N-(2-methoxyethyl)acetamide;2-[8-formyl-7-hydroxy-6-(2-methoxyethoxy)-4-methyl-2-oxochromen-3-yl]-N-(2-piperidin-1-ylethyl)acetamide;7-hydroxy-6-(2-methoxyethoxy)-4-methyl-3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-2-oxochromene-8-carbaldehyde;7-hydroxy-6-(2-methoxyethoxy)-4-methyl-3-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-2-oxochromene-8-carbaldehyde;7-hydroxy-6-(2-methoxyethoxy)-4-methyl-2-oxo-3-(3-oxoheptyl)chromene-8-carbaldehyde;7-hydroxy-6-(2-methoxyethoxy)-4-methyl-2-oxo-3-(3-oxohexyl)chromene-8-carbaldehyde;7-hydroxy-6-(2-methoxyethoxy)-4-methyl-2-oxo-3-(2-oxo-2-piperidin-1-ylethyl)chromene-8-carbaldehyde;7-hydroxy-6-(2-methoxyethoxy)-4-methyl-2-oxo-3-(3-oxo-6-piperidin-1-ylhexyl)chromene-8-carbaldehyde (CID 159340076) is 2-[8-formyl-7-hydroxy-6-(2-methoxyethoxy)-4-methyl-2-oxochromen-3-yl]-N-(2-methoxyethyl)acetamide;2-[8-formyl-7-hydroxy-6-(2-methoxyethoxy)-4-methyl-2-oxochromen-3-yl]-N-(2-piperidin-1-ylethyl)acetamide;7-hydroxy-6-(2-methoxyethoxy)-4-methyl-3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-2-oxochromene-8-carbaldehyde;7-hydroxy-6-(2-methoxyethoxy)-4-methyl-3-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-2-oxochromene-8-carbaldehyde;7-hydroxy-6-(2-methoxyethoxy)-4-methyl-2-oxo-3-(3-oxoheptyl)chromene-8-carbaldehyde;7-hydroxy-6-(2-methoxyethoxy)-4-methyl-2-oxo-3-(3-oxohexyl)chromene-8-carbaldehyde;7-hydroxy-6-(2-methoxyethoxy)-4-methyl-2-oxo-3-(2-oxo-2-piperidin-1-ylethyl)chromene-8-carbaldehyde;7-hydroxy-6-(2-methoxyethoxy)-4-methyl-2-oxo-3-(3-oxo-6-piperidin-1-ylhexyl)chromene-8-carbaldehyde.
What is the SMILES notation for 2-[8-formyl-7-hydroxy-6-(2-methoxyethoxy)-4-methyl-2-oxochromen-3-yl]-N-(2-methoxyethyl)acetamide;2-[8-formyl-7-hydroxy-6-(2-methoxyethoxy)-4-methyl-2-oxochromen-3-yl]-N-(2-piperidin-1-ylethyl)acetamide;7-hydroxy-6-(2-methoxyethoxy)-4-methyl-3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-2-oxochromene-8-carbaldehyde;7-hydroxy-6-(2-methoxyethoxy)-4-methyl-3-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-2-oxochromene-8-carbaldehyde;7-hydroxy-6-(2-methoxyethoxy)-4-methyl-2-oxo-3-(3-oxoheptyl)chromene-8-carbaldehyde;7-hydroxy-6-(2-methoxyethoxy)-4-methyl-2-oxo-3-(3-oxohexyl)chromene-8-carbaldehyde;7-hydroxy-6-(2-methoxyethoxy)-4-methyl-2-oxo-3-(2-oxo-2-piperidin-1-ylethyl)chromene-8-carbaldehyde;7-hydroxy-6-(2-methoxyethoxy)-4-methyl-2-oxo-3-(3-oxo-6-piperidin-1-ylhexyl)chromene-8-carbaldehyde?
The canonical SMILES for 2-[8-formyl-7-hydroxy-6-(2-methoxyethoxy)-4-methyl-2-oxochromen-3-yl]-N-(2-methoxyethyl)acetamide;2-[8-formyl-7-hydroxy-6-(2-methoxyethoxy)-4-methyl-2-oxochromen-3-yl]-N-(2-piperidin-1-ylethyl)acetamide;7-hydroxy-6-(2-methoxyethoxy)-4-methyl-3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-2-oxochromene-8-carbaldehyde;7-hydroxy-6-(2-methoxyethoxy)-4-methyl-3-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-2-oxochromene-8-carbaldehyde;7-hydroxy-6-(2-methoxyethoxy)-4-methyl-2-oxo-3-(3-oxoheptyl)chromene-8-carbaldehyde;7-hydroxy-6-(2-methoxyethoxy)-4-methyl-2-oxo-3-(3-oxohexyl)chromene-8-carbaldehyde;7-hydroxy-6-(2-methoxyethoxy)-4-methyl-2-oxo-3-(2-oxo-2-piperidin-1-ylethyl)chromene-8-carbaldehyde;7-hydroxy-6-(2-methoxyethoxy)-4-methyl-2-oxo-3-(3-oxo-6-piperidin-1-ylhexyl)chromene-8-carbaldehyde is CCCC(=O)CCc1c(C)c2cc(OCCOC)c(O)c(C=O)c2oc1=O.CCCCC(=O)CCc1c(C)c2cc(OCCOC)c(O)c(C=O)c2oc1=O.COCCNC(=O)Cc1c(C)c2cc(OCCOC)c(O)c(C=O)c2oc1=O.COCCOc1cc2c(C)c(CC(=O)N3CCCCC3)c(=O)oc2c(C=O)c1O.COCCOc1cc2c(C)c(CC(=O)N3CCN(C)CC3)c(=O)oc2c(C=O)c1O.COCCOc1cc2c(C)c(CC(=O)NCCN3CCCCC3)c(=O)oc2c(C=O)c1O.COCCOc1cc2c(C)c(CCC(=O)CCCN3CCCCC3)c(=O)oc2c(C=O)c1O.COCCOc1cc2c(C)c(CCC(=O)N3CCN(C)CC3)c(=O)oc2c(C=O)c1O.
What is the InChIKey of 2-[8-formyl-7-hydroxy-6-(2-methoxyethoxy)-4-methyl-2-oxochromen-3-yl]-N-(2-methoxyethyl)acetamide;2-[8-formyl-7-hydroxy-6-(2-methoxyethoxy)-4-methyl-2-oxochromen-3-yl]-N-(2-piperidin-1-ylethyl)acetamide;7-hydroxy-6-(2-methoxyethoxy)-4-methyl-3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-2-oxochromene-8-carbaldehyde;7-hydroxy-6-(2-methoxyethoxy)-4-methyl-3-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-2-oxochromene-8-carbaldehyde;7-hydroxy-6-(2-methoxyethoxy)-4-methyl-2-oxo-3-(3-oxoheptyl)chromene-8-carbaldehyde;7-hydroxy-6-(2-methoxyethoxy)-4-methyl-2-oxo-3-(3-oxohexyl)chromene-8-carbaldehyde;7-hydroxy-6-(2-methoxyethoxy)-4-methyl-2-oxo-3-(2-oxo-2-piperidin-1-ylethyl)chromene-8-carbaldehyde;7-hydroxy-6-(2-methoxyethoxy)-4-methyl-2-oxo-3-(3-oxo-6-piperidin-1-ylhexyl)chromene-8-carbaldehyde?
The InChIKey is LGAKZTSOPNXCFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33NO7.C23H30N2O7.C22H28N2O7.C21H26N2O7.C21H25NO7.C21H26O7.C20H24O7.C19H23NO8/c1-17-19(9-8-18(28)7-6-12-26-10-4-3-5-11-26)25(30)33-24-20(17)15-22(32-14-13-31-2)23(29)21(24)16-27;1-15-16-12-19(31-11-10-30-2)21(28)18(14-26)22(16)32-23(29)17(15)13-20(27)24-6-9-25-7-4-3-5-8-25;1-14-15(4-5-19(26)24-8-6-23(2)7-9-24)22(28)31-21-16(14)12-18(30-11-10-29-3)20(27)17(21)13-25;1-13-14-10-17(29-9-8-28-3)19(26)16(12-24)20(14)30-21(27)15(13)11-18(25)23-6-4-22(2)5-7-23;1-13-14-10-17(28-9-8-27-2)19(25)16(12-23)20(14)29-21(26)15(13)11-18(24)22-6-4-3-5-7-22;1-4-5-6-14(23)7-8-15-13(2)16-11-18(27-10-9-26-3)19(24)17(12-22)20(16)28-21(15)25;1-4-5-13(22)6-7-14-12(2)15-10-17(26-9-8-25-3)18(23)16(11-21)19(15)27-20(14)24;1-11-12-8-15(27-7-6-26-3)17(23)14(10-21)18(12)28-19(24)13(11)9-16(22)20-4-5-25-2/h15-16,29H,3-14H2,1-2H3;12,14,28H,3-11,13H2,1-2H3,(H,24,27);12-13,27H,4-11H2,1-3H3;10,12,26H,4-9,11H2,1-3H3;10,12,25H,3-9,11H2,1-2H3;11-12,24H,4-10H2,1-3H3;10-11,23H,4-9H2,1-3H3;8,10,23H,4-7,9H2,1-3H3,(H,20,22).
What are the key properties of 2-[8-formyl-7-hydroxy-6-(2-methoxyethoxy)-4-methyl-2-oxochromen-3-yl]-N-(2-methoxyethyl)acetamide;2-[8-formyl-7-hydroxy-6-(2-methoxyethoxy)-4-methyl-2-oxochromen-3-yl]-N-(2-piperidin-1-ylethyl)acetamide;7-hydroxy-6-(2-methoxyethoxy)-4-methyl-3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-2-oxochromene-8-carbaldehyde;7-hydroxy-6-(2-methoxyethoxy)-4-methyl-3-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-2-oxochromene-8-carbaldehyde;7-hydroxy-6-(2-methoxyethoxy)-4-methyl-2-oxo-3-(3-oxoheptyl)chromene-8-carbaldehyde;7-hydroxy-6-(2-methoxyethoxy)-4-methyl-2-oxo-3-(3-oxohexyl)chromene-8-carbaldehyde;7-hydroxy-6-(2-methoxyethoxy)-4-methyl-2-oxo-3-(2-oxo-2-piperidin-1-ylethyl)chromene-8-carbaldehyde;7-hydroxy-6-(2-methoxyethoxy)-4-methyl-2-oxo-3-(3-oxo-6-piperidin-1-ylhexyl)chromene-8-carbaldehyde?
2-[8-formyl-7-hydroxy-6-(2-methoxyethoxy)-4-methyl-2-oxochromen-3-yl]-N-(2-methoxyethyl)acetamide;2-[8-formyl-7-hydroxy-6-(2-methoxyethoxy)-4-methyl-2-oxochromen-3-yl]-N-(2-piperidin-1-ylethyl)acetamide;7-hydroxy-6-(2-methoxyethoxy)-4-methyl-3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-2-oxochromene-8-carbaldehyde;7-hydroxy-6-(2-methoxyethoxy)-4-methyl-3-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-2-oxochromene-8-carbaldehyde;7-hydroxy-6-(2-methoxyethoxy)-4-methyl-2-oxo-3-(3-oxoheptyl)chromene-8-carbaldehyde;7-hydroxy-6-(2-methoxyethoxy)-4-methyl-2-oxo-3-(3-oxohexyl)chromene-8-carbaldehyde;7-hydroxy-6-(2-methoxyethoxy)-4-methyl-2-oxo-3-(2-oxo-2-piperidin-1-ylethyl)chromene-8-carbaldehyde;7-hydroxy-6-(2-methoxyethoxy)-4-methyl-2-oxo-3-(3-oxo-6-piperidin-1-ylhexyl)chromene-8-carbaldehyde has a molecular weight of 3320.62 g/mol, XLogP of 16.95, 75 rotatable bonds, 10 hydrogen bond donors, and 61 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[8-formyl-7-hydroxy-6-(2-methoxyethoxy)-4-methyl-2-oxochromen-3-yl]-N-(2-methoxyethyl)acetamide;2-[8-formyl-7-hydroxy-6-(2-methoxyethoxy)-4-methyl-2-oxochromen-3-yl]-N-(2-piperidin-1-ylethyl)acetamide;7-hydroxy-6-(2-methoxyethoxy)-4-methyl-3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-2-oxochromene-8-carbaldehyde;7-hydroxy-6-(2-methoxyethoxy)-4-methyl-3-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-2-oxochromene-8-carbaldehyde;7-hydroxy-6-(2-methoxyethoxy)-4-methyl-2-oxo-3-(3-oxoheptyl)chromene-8-carbaldehyde;7-hydroxy-6-(2-methoxyethoxy)-4-methyl-2-oxo-3-(3-oxohexyl)chromene-8-carbaldehyde;7-hydroxy-6-(2-methoxyethoxy)-4-methyl-2-oxo-3-(2-oxo-2-piperidin-1-ylethyl)chromene-8-carbaldehyde;7-hydroxy-6-(2-methoxyethoxy)-4-methyl-2-oxo-3-(3-oxo-6-piperidin-1-ylhexyl)chromene-8-carbaldehyde is sourced from PubChem (CID 159340076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).