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

C98H115N9O30 — CID 165074007

IUPAC3-(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
SMILESCOc1cc2c(=O)c(CCC(=O)N3CCN(C)CC3)c(C)oc2c(C=O)c1O.COc1cc2c(=O)c(CCC(=O)NCCN3CCOCC3)c(C)oc2c(C=O)c1O.Cc1cc2c(=O)c(CC(=O)N3CCOCC3)c(C)oc2c(C=O)c1O.Cc1oc2c(C=O)c(O)ccc2c(=O)c1CCC(=O)N1CCN(C)CC1.Cc1oc2c(C=O)c(O)ccc2c(=O)c1CCC(=O)NCCN1CCOCC1
InChIInChI=1S/C21H26N2O7.2C20H24N2O6.C19H22N2O5.C18H19NO6/c1-13-14(3-4-18(25)22-5-6-23-7-9-29-10-8-23)19(26)15-11-17(28-2)20(27)16(12-24)21(15)30-13;1-12-13(4-5-17(24)22-8-6-21(2)7-9-22)18(25)14-10-16(27-3)19(26)15(11-23)20(14)28-12;1-13-14(3-5-18(25)21-6-7-22-8-10-27-11-9-22)19(26)15-2-4-17(24)16(12-23)20(15)28-13;1-12-13(4-6-17(24)21-9-7-20(2)8-10-21)18(25)14-3-5-16(23)15(11-22)19(14)26-12;1-10-7-13-17(23)12(8-15(21)19-3-5-24-6-4-19)11(2)25-18(13)14(9-20)16(10)22/h11-12,27H,3-10H2,1-2H3,(H,22,25);10-11,26H,4-9H2,1-3H3;2,4,12,24H,3,5-11H2,1H3,(H,21,25);3,5,11,23H,4,6-10H2,1-2H3;7,9,22H,3-6,8H2,1-2H3
InChIKeyTZQYZPTZCYDGPH-UHFFFAOYSA-N
MW1899.03 g/mol
LogP6.00
Rot. Bonds27

About 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

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 (PubChem CID 165074007) has the molecular formula C98H115N9O30 and a molecular weight of 1899.03 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-(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
PubChem CID165074007
Molecular FormulaC98H115N9O30
Molecular Weight1899.03 g/mol
Exact Mass1897.77
IUPAC Name3-(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
SMILESCOc1cc2c(=O)c(CCC(=O)N3CCN(C)CC3)c(C)oc2c(C=O)c1O.COc1cc2c(=O)c(CCC(=O)NCCN3CCOCC3)c(C)oc2c(C=O)c1O.Cc1cc2c(=O)c(CC(=O)N3CCOCC3)c(C)oc2c(C=O)c1O.Cc1oc2c(C=O)c(O)ccc2c(=O)c1CCC(=O)N1CCN(C)CC1.Cc1oc2c(C=O)c(O)ccc2c(=O)c1CCC(=O)NCCN1CCOCC1
InChIInChI=1S/C21H26N2O7.2C20H24N2O6.C19H22N2O5.C18H19NO6/c1-13-14(3-4-18(25)22-5-6-23-7-9-29-10-8-23)19(26)15-11-17(28-2)20(27)16(12-24)21(15)30-13;1-12-13(4-5-17(24)22-8-6-21(2)7-9-22)18(25)14-10-16(27-3)19(26)15(11-23)20(14)28-12;1-13-14(3-5-18(25)21-6-7-22-8-10-27-11-9-22)19(26)15-2-4-17(24)16(12-23)20(15)28-13;1-12-13(4-6-17(24)21-9-7-20(2)8-10-21)18(25)14-3-5-16(23)15(11-22)19(14)26-12;1-10-7-13-17(23)12(8-15(21)19-3-5-24-6-4-19)11(2)25-18(13)14(9-20)16(10)22/h11-12,27H,3-10H2,1-2H3,(H,22,25);10-11,26H,4-9H2,1-3H3;2,4,12,24H,3,5-11H2,1H3,(H,21,25);3,5,11,23H,4,6-10H2,1-2H3;7,9,22H,3-6,8H2,1-2H3
InChIKeyTZQYZPTZCYDGPH-UHFFFAOYSA-N
XLogP6.00
TPSA515.79 Ų
H-Bond Donors7
H-Bond Acceptors34
Rotatable Bonds27
Heavy Atoms137
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001899.03
LogP ≤ 56.00
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1034

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

2-(8-formyl-7-hydroxy-2,6-dimethyl-4-oxochromen-3-yl)-N-(2-piperidin-1-ylethyl)acetamide
CID 158654682
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
7-hydroxy-6-methoxy-2-methyl-3-[4-(4-morpholin-4-ylbutanoyl)phenyl]-4-oxochromene-8-carbaldehyde
CID 157245927
2-(7-methoxy-4,8-dimethyl-2-oxochromen-3-yl)-N-(2-morpholin-4-ylethyl)acetamide
CID 4974013
3-(3-amino-4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)propanamide
CID 39442278
3-(2-methoxy-5-methylanilino)-N-(2-morpholin-4-ylethyl)propanamide
CID 109016626
3-(4-methylpiperazin-1-yl)-N-(2-morpholin-4-ylethyl)-3-oxopropanamide
CID 108943967
N-ethyl-3-[8-formyl-7-hydroxy-6-(2-methoxyethoxy)-4-methyl-2-oxochromen-3-yl]propanamide
CID 87407876
2-(7-hydroxy-4-methyl-2-oxochromen-3-yl)-N-(2-morpholin-4-ylethyl)acetamide
CID 6228876
4-(3,4-dimethoxyphenyl)-N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]butanamide
CID 110625284
2-methyl-6-(3-morpholin-4-yl-3-oxopropyl)naphthalene-1-carbaldehyde
CID 88947049
4-(4-chloro-2-methylphenoxy)-N-(2-morpholin-4-ylethyl)butanamide
CID 3148041

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COc1cc2c(=O)c(CCC(=O)N3CCN(C)CC3)c(C)oc2c(C=O)c1O.COc1cc2c(=O)c(CCC(=O)NCCN3CCOCC3)c(C)oc2c(C=O)c1O.Cc1cc2c(=O)c(CC(=O)N3CCOCC3)c(C)oc2c(C=O)c1O.Cc1oc2c(C=O)c(O)ccc2c(=O)c1CCC(=O)N1CCN(C)CC1.Cc1oc2c(C=O)c(O)ccc2c(=O)c1CCC(=O)NCCN1CCOCC1.
What is the InChIKey of 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?
The InChIKey is TZQYZPTZCYDGPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O7.2C20H24N2O6.C19H22N2O5.C18H19NO6/c1-13-14(3-4-18(25)22-5-6-23-7-9-29-10-8-23)19(26)15-11-17(28-2)20(27)16(12-24)21(15)30-13;1-12-13(4-5-17(24)22-8-6-21(2)7-9-22)18(25)14-10-16(27-3)19(26)15(11-23)20(14)28-12;1-13-14(3-5-18(25)21-6-7-22-8-10-27-11-9-22)19(26)15-2-4-17(24)16(12-23)20(15)28-13;1-12-13(4-6-17(24)21-9-7-20(2)8-10-21)18(25)14-3-5-16(23)15(11-22)19(14)26-12;1-10-7-13-17(23)12(8-15(21)19-3-5-24-6-4-19)11(2)25-18(13)14(9-20)16(10)22/h11-12,27H,3-10H2,1-2H3,(H,22,25);10-11,26H,4-9H2,1-3H3;2,4,12,24H,3,5-11H2,1H3,(H,21,25);3,5,11,23H,4,6-10H2,1-2H3;7,9,22H,3-6,8H2,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 1899.03 g/mol, XLogP of 6.00, 27 rotatable bonds, 7 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 165074007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).