methyl 7-methoxy-3-methyl-4-oxo-8-phenyl-1H-quinoline-2-carboxylate

C19H17NO4 — CID 71212531

IUPACmethyl 7-methoxy-3-methyl-4-oxo-8-phenyl-1H-quinoline-2-carboxylate
SMILESCOC(=O)c1[nH]c2c(-c3ccccc3)c(OC)ccc2c(=O)c1C
InChIInChI=1S/C19H17NO4/c1-11-16(19(22)24-3)20-17-13(18(11)21)9-10-14(23-2)15(17)12-7-5-4-6-8-12/h4-10H,1-3H3,(H,20,21)
InChIKeyUFOQGMDTGRSQFK-UHFFFAOYSA-N
MW323.35 g/mol
LogP3.30
Rot. Bonds3

About methyl 7-methoxy-3-methyl-4-oxo-8-phenyl-1H-quinoline-2-carboxylate

methyl 7-methoxy-3-methyl-4-oxo-8-phenyl-1H-quinoline-2-carboxylate (PubChem CID 71212531) has the molecular formula C19H17NO4 and a molecular weight of 323.35 g/mol. Its IUPAC name is methyl 7-methoxy-3-methyl-4-oxo-8-phenyl-1H-quinoline-2-carboxylate.

Molecular Properties

Compound Namemethyl 7-methoxy-3-methyl-4-oxo-8-phenyl-1H-quinoline-2-carboxylate
PubChem CID71212531
Molecular FormulaC19H17NO4
Molecular Weight323.35 g/mol
Exact Mass323.12
IUPAC Namemethyl 7-methoxy-3-methyl-4-oxo-8-phenyl-1H-quinoline-2-carboxylate
SMILESCOC(=O)c1[nH]c2c(-c3ccccc3)c(OC)ccc2c(=O)c1C
InChIInChI=1S/C19H17NO4/c1-11-16(19(22)24-3)20-17-13(18(11)21)9-10-14(23-2)15(17)12-7-5-4-6-8-12/h4-10H,1-3H3,(H,20,21)
InChIKeyUFOQGMDTGRSQFK-UHFFFAOYSA-N
XLogP3.30
TPSA68.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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8-methoxy-3-methyl-2-phenyl-1H-quinolin-4-one
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[6-methoxy-3,7-bis(4-methoxyphenyl)-1H-indol-2-yl]-(4-methoxyphenyl)methanone
CID 71723332
methyl 5-(4-methoxy-3-methylphenyl)-3-methyl-1H-pyrrole-2-carboxylate
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methyl 2,6-dimethoxy-3-phenylbenzoate
CID 142664398
methyl 3,5-diphenyl-1H-indole-2-carboxylate
CID 135386958
methyl 4-(4-methoxyphenyl)-1-oxo-2H-isoquinoline-3-carboxylate
CID 134913436
methyl 3-iodo-2-methyl-4-oxo-1H-quinoline-8-carboxylate
CID 102537528
methyl 1-(3,4-dimethoxyphenyl)-9H-carbazole-2-carboxylate
CID 150364727
methyl 2,5-dimethyl-4-(4-phenylphenyl)-1H-pyrrole-3-carboxylate
CID 23030382
(4-methoxy-2-methyl-3-phenylphenyl)phosphonic acid
CID 89463077

Frequently Asked Questions

What is the IUPAC name of methyl 7-methoxy-3-methyl-4-oxo-8-phenyl-1H-quinoline-2-carboxylate?
The IUPAC name of methyl 7-methoxy-3-methyl-4-oxo-8-phenyl-1H-quinoline-2-carboxylate (CID 71212531) is methyl 7-methoxy-3-methyl-4-oxo-8-phenyl-1H-quinoline-2-carboxylate.
What is the SMILES notation for methyl 7-methoxy-3-methyl-4-oxo-8-phenyl-1H-quinoline-2-carboxylate?
The canonical SMILES for methyl 7-methoxy-3-methyl-4-oxo-8-phenyl-1H-quinoline-2-carboxylate is COC(=O)c1[nH]c2c(-c3ccccc3)c(OC)ccc2c(=O)c1C.
What is the InChIKey of methyl 7-methoxy-3-methyl-4-oxo-8-phenyl-1H-quinoline-2-carboxylate?
The InChIKey is UFOQGMDTGRSQFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO4/c1-11-16(19(22)24-3)20-17-13(18(11)21)9-10-14(23-2)15(17)12-7-5-4-6-8-12/h4-10H,1-3H3,(H,20,21).
What are the key properties of methyl 7-methoxy-3-methyl-4-oxo-8-phenyl-1H-quinoline-2-carboxylate?
methyl 7-methoxy-3-methyl-4-oxo-8-phenyl-1H-quinoline-2-carboxylate has a molecular weight of 323.35 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-methoxy-3-methyl-4-oxo-8-phenyl-1H-quinoline-2-carboxylate is sourced from PubChem (CID 71212531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).