5-bromo-2-ethylpyridine;1-[(5-bromo-2-pyridinyl)methyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxyquinolin-2-one;6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-1-[[5-(1-methylpyrazol-4-yl)-2-pyridinyl]methyl]quinolin-2-one;6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-1H-naphthalen-2-one

C69H64Br2N10O9 — CID 159124904

IUPAC5-bromo-2-ethylpyridine;1-[(5-bromo-2-pyridinyl)methyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxyquinolin-2-one;6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-1-[[5-(1-methylpyrazol-4-yl)-2-pyridinyl]methyl]quinolin-2-one;6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-1H-naphthalen-2-one
SMILESCCc1ccc(Br)cn1.COc1cc2c(cc1-c1c(C)noc1C)C=CC(=O)C2.COc1cc2c(ccc(=O)n2Cc2ccc(-c3cnn(C)c3)cn2)cc1-c1c(C)noc1C.COc1cc2c(ccc(=O)n2Cc2ccc(Br)cn2)cc1-c1c(C)noc1C
InChIInChI=1S/C25H23N5O3.C21H18BrN3O3.C16H15NO3.C7H8BrN/c1-15-25(16(2)33-28-15)21-9-17-6-8-24(31)30(22(17)10-23(21)32-4)14-20-7-5-18(11-26-20)19-12-27-29(3)13-19;1-12-21(13(2)28-24-12)17-8-14-4-7-20(26)25(18(14)9-19(17)27-3)11-16-6-5-15(22)10-23-16;1-9-16(10(2)20-17-9)14-7-11-4-5-13(18)6-12(11)8-15(14)19-3;1-2-7-4-3-6(8)5-9-7/h5-13H,14H2,1-4H3;4-10H,11H2,1-3H3;4-5,7-8H,6H2,1-3H3;3-5H,2H2,1H3
InChIKeyKGDSBXDXLRBPMD-UHFFFAOYSA-N
MW1337.14 g/mol
LogP14.13
Rot. Bonds12

About 5-bromo-2-ethylpyridine;1-[(5-bromo-2-pyridinyl)methyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxyquinolin-2-one;6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-1-[[5-(1-methylpyrazol-4-yl)-2-pyridinyl]methyl]quinolin-2-one;6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-1H-naphthalen-2-one

5-bromo-2-ethylpyridine;1-[(5-bromo-2-pyridinyl)methyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxyquinolin-2-one;6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-1-[[5-(1-methylpyrazol-4-yl)-2-pyridinyl]methyl]quinolin-2-one;6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-1H-naphthalen-2-one (PubChem CID 159124904) has the molecular formula C69H64Br2N10O9 and a molecular weight of 1337.14 g/mol. Its IUPAC name is 5-bromo-2-ethylpyridine;1-[(5-bromo-2-pyridinyl)methyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxyquinolin-2-one;6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-1-[[5-(1-methylpyrazol-4-yl)-2-pyridinyl]methyl]quinolin-2-one;6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-1H-naphthalen-2-one.

Molecular Properties

Compound Name5-bromo-2-ethylpyridine;1-[(5-bromo-2-pyridinyl)methyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxyquinolin-2-one;6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-1-[[5-(1-methylpyrazol-4-yl)-2-pyridinyl]methyl]quinolin-2-one;6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-1H-naphthalen-2-one
PubChem CID159124904
Molecular FormulaC69H64Br2N10O9
Molecular Weight1337.14 g/mol
Exact Mass1334.32
IUPAC Name5-bromo-2-ethylpyridine;1-[(5-bromo-2-pyridinyl)methyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxyquinolin-2-one;6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-1-[[5-(1-methylpyrazol-4-yl)-2-pyridinyl]methyl]quinolin-2-one;6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-1H-naphthalen-2-one
SMILESCCc1ccc(Br)cn1.COc1cc2c(cc1-c1c(C)noc1C)C=CC(=O)C2.COc1cc2c(ccc(=O)n2Cc2ccc(-c3cnn(C)c3)cn2)cc1-c1c(C)noc1C.COc1cc2c(ccc(=O)n2Cc2ccc(Br)cn2)cc1-c1c(C)noc1C
InChIInChI=1S/C25H23N5O3.C21H18BrN3O3.C16H15NO3.C7H8BrN/c1-15-25(16(2)33-28-15)21-9-17-6-8-24(31)30(22(17)10-23(21)32-4)14-20-7-5-18(11-26-20)19-12-27-29(3)13-19;1-12-21(13(2)28-24-12)17-8-14-4-7-20(26)25(18(14)9-19(17)27-3)11-16-6-5-15(22)10-23-16;1-9-16(10(2)20-17-9)14-7-11-4-5-13(18)6-12(11)8-15(14)19-3;1-2-7-4-3-6(8)5-9-7/h5-13H,14H2,1-4H3;4-10H,11H2,1-3H3;4-5,7-8H,6H2,1-3H3;3-5H,2H2,1H3
InChIKeyKGDSBXDXLRBPMD-UHFFFAOYSA-N
XLogP14.13
TPSA223.34 Ų
H-Bond Donors
H-Bond Acceptors19
Rotatable Bonds12
Heavy Atoms90
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001337.14
LogP ≤ 514.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1019

Analyze 5-bromo-2-ethylpyridine;1-[(5-bromo-2-pyridinyl)methyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxyquinolin-2-one;6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-1-[[5-(1-methylpyrazol-4-yl)-2-pyridinyl]methyl]quinolin-2-one;6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-1H-naphthalen-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-ethylpyridine;1-[(5-bromo-2-pyridinyl)methyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxyquinolin-2-one;6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-1-[[5-(1-methylpyrazol-4-yl)-2-pyridinyl]methyl]quinolin-2-one;6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-1H-naphthalen-2-one?
The IUPAC name of 5-bromo-2-ethylpyridine;1-[(5-bromo-2-pyridinyl)methyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxyquinolin-2-one;6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-1-[[5-(1-methylpyrazol-4-yl)-2-pyridinyl]methyl]quinolin-2-one;6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-1H-naphthalen-2-one (CID 159124904) is 5-bromo-2-ethylpyridine;1-[(5-bromo-2-pyridinyl)methyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxyquinolin-2-one;6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-1-[[5-(1-methylpyrazol-4-yl)-2-pyridinyl]methyl]quinolin-2-one;6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-1H-naphthalen-2-one.
What is the SMILES notation for 5-bromo-2-ethylpyridine;1-[(5-bromo-2-pyridinyl)methyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxyquinolin-2-one;6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-1-[[5-(1-methylpyrazol-4-yl)-2-pyridinyl]methyl]quinolin-2-one;6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-1H-naphthalen-2-one?
The canonical SMILES for 5-bromo-2-ethylpyridine;1-[(5-bromo-2-pyridinyl)methyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxyquinolin-2-one;6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-1-[[5-(1-methylpyrazol-4-yl)-2-pyridinyl]methyl]quinolin-2-one;6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-1H-naphthalen-2-one is CCc1ccc(Br)cn1.COc1cc2c(cc1-c1c(C)noc1C)C=CC(=O)C2.COc1cc2c(ccc(=O)n2Cc2ccc(-c3cnn(C)c3)cn2)cc1-c1c(C)noc1C.COc1cc2c(ccc(=O)n2Cc2ccc(Br)cn2)cc1-c1c(C)noc1C.
What is the InChIKey of 5-bromo-2-ethylpyridine;1-[(5-bromo-2-pyridinyl)methyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxyquinolin-2-one;6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-1-[[5-(1-methylpyrazol-4-yl)-2-pyridinyl]methyl]quinolin-2-one;6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-1H-naphthalen-2-one?
The InChIKey is KGDSBXDXLRBPMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N5O3.C21H18BrN3O3.C16H15NO3.C7H8BrN/c1-15-25(16(2)33-28-15)21-9-17-6-8-24(31)30(22(17)10-23(21)32-4)14-20-7-5-18(11-26-20)19-12-27-29(3)13-19;1-12-21(13(2)28-24-12)17-8-14-4-7-20(26)25(18(14)9-19(17)27-3)11-16-6-5-15(22)10-23-16;1-9-16(10(2)20-17-9)14-7-11-4-5-13(18)6-12(11)8-15(14)19-3;1-2-7-4-3-6(8)5-9-7/h5-13H,14H2,1-4H3;4-10H,11H2,1-3H3;4-5,7-8H,6H2,1-3H3;3-5H,2H2,1H3.
What are the key properties of 5-bromo-2-ethylpyridine;1-[(5-bromo-2-pyridinyl)methyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxyquinolin-2-one;6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-1-[[5-(1-methylpyrazol-4-yl)-2-pyridinyl]methyl]quinolin-2-one;6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-1H-naphthalen-2-one?
5-bromo-2-ethylpyridine;1-[(5-bromo-2-pyridinyl)methyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxyquinolin-2-one;6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-1-[[5-(1-methylpyrazol-4-yl)-2-pyridinyl]methyl]quinolin-2-one;6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-1H-naphthalen-2-one has a molecular weight of 1337.14 g/mol, XLogP of 14.13, 12 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-ethylpyridine;1-[(5-bromo-2-pyridinyl)methyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxyquinolin-2-one;6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-1-[[5-(1-methylpyrazol-4-yl)-2-pyridinyl]methyl]quinolin-2-one;6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-1H-naphthalen-2-one is sourced from PubChem (CID 159124904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).