1-(3,4-dimethoxyphenyl)-6-methoxy-4-oxoquinoline-3-carboxylic acid

C19H17NO6 — CID 139890801

IUPAC1-(3,4-dimethoxyphenyl)-6-methoxy-4-oxoquinoline-3-carboxylic acid
SMILESCOc1ccc2c(c1)c(=O)c(C(=O)O)cn2-c1ccc(OC)c(OC)c1
InChIInChI=1S/C19H17NO6/c1-24-12-5-6-15-13(9-12)18(21)14(19(22)23)10-20(15)11-4-7-16(25-2)17(8-11)26-3/h4-10H,1-3H3,(H,22,23)
InChIKeyUOOOXYILRMFCGD-UHFFFAOYSA-N
MW355.35 g/mol
LogP2.71
Rot. Bonds5

About 1-(3,4-dimethoxyphenyl)-6-methoxy-4-oxoquinoline-3-carboxylic acid

1-(3,4-dimethoxyphenyl)-6-methoxy-4-oxoquinoline-3-carboxylic acid (PubChem CID 139890801) has the molecular formula C19H17NO6 and a molecular weight of 355.35 g/mol. Its IUPAC name is 1-(3,4-dimethoxyphenyl)-6-methoxy-4-oxoquinoline-3-carboxylic acid.

Molecular Properties

Compound Name1-(3,4-dimethoxyphenyl)-6-methoxy-4-oxoquinoline-3-carboxylic acid
PubChem CID139890801
Molecular FormulaC19H17NO6
Molecular Weight355.35 g/mol
Exact Mass355.11
IUPAC Name1-(3,4-dimethoxyphenyl)-6-methoxy-4-oxoquinoline-3-carboxylic acid
SMILESCOc1ccc2c(c1)c(=O)c(C(=O)O)cn2-c1ccc(OC)c(OC)c1
InChIInChI=1S/C19H17NO6/c1-24-12-5-6-15-13(9-12)18(21)14(19(22)23)10-20(15)11-4-7-16(25-2)17(8-11)26-3/h4-10H,1-3H3,(H,22,23)
InChIKeyUOOOXYILRMFCGD-UHFFFAOYSA-N
XLogP2.71
TPSA86.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.35
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-hydroxy-3-methoxyphenyl)-6-methoxy-N-methyl-4-oxo-N-phenylquinoline-3-carboxamide
CID 139890805
5-(4-methoxyphenyl)-8-oxo-[1,3]dioxolo[4,5-g]quinoline-7-carboxylic acid
CID 70481800
1-(cyclopropylmethyl)-6-methoxy-4-oxoquinoline-3-carboxylic acid
CID 82247783
6-fluoro-1-(4-methoxyphenyl)-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acid
CID 10715814
1-methyl-4-oxo-6-(trifluoromethoxy)quinoline-3-carboxylic acid
CID 82250058
6-fluoro-1-(4-methoxyphenyl)-7-(2-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid
CID 70388110
2-(6-methoxy-1-methyl-4-oxoquinolin-3-yl)prop-2-enoic acid
CID 70510387
2-(3-benzoyl-6-methoxy-4-oxoquinolin-1-yl)-N-(3,4-dimethoxyphenyl)acetamide
CID 20868843
3-fluoro-5-methoxy-1-methylindole-2-carboxylic acid
CID 83853725
4-(3-cyanoindol-1-yl)-2-methoxybenzoic acid
CID 58437505
1-[3-[[2-(chloromethyl)phenyl]methoxy]-5-methoxyphenyl]-7-methoxy-4-oxoquinoline-3-carboxylic acid
CID 151632750
1-(3,4-dimethoxyphenyl)-6-methyl-4-oxopyridine-3-carbonyl chloride
CID 82419028

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxyphenyl)-6-methoxy-4-oxoquinoline-3-carboxylic acid?
The IUPAC name of 1-(3,4-dimethoxyphenyl)-6-methoxy-4-oxoquinoline-3-carboxylic acid (CID 139890801) is 1-(3,4-dimethoxyphenyl)-6-methoxy-4-oxoquinoline-3-carboxylic acid.
What is the SMILES notation for 1-(3,4-dimethoxyphenyl)-6-methoxy-4-oxoquinoline-3-carboxylic acid?
The canonical SMILES for 1-(3,4-dimethoxyphenyl)-6-methoxy-4-oxoquinoline-3-carboxylic acid is COc1ccc2c(c1)c(=O)c(C(=O)O)cn2-c1ccc(OC)c(OC)c1.
What is the InChIKey of 1-(3,4-dimethoxyphenyl)-6-methoxy-4-oxoquinoline-3-carboxylic acid?
The InChIKey is UOOOXYILRMFCGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO6/c1-24-12-5-6-15-13(9-12)18(21)14(19(22)23)10-20(15)11-4-7-16(25-2)17(8-11)26-3/h4-10H,1-3H3,(H,22,23).
What are the key properties of 1-(3,4-dimethoxyphenyl)-6-methoxy-4-oxoquinoline-3-carboxylic acid?
1-(3,4-dimethoxyphenyl)-6-methoxy-4-oxoquinoline-3-carboxylic acid has a molecular weight of 355.35 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethoxyphenyl)-6-methoxy-4-oxoquinoline-3-carboxylic acid is sourced from PubChem (CID 139890801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).