7-methoxy-1-methyl-2-oxo-3,4-dihydroquinoline-6-carboxylic acid

C12H13NO4 — CID 117209612

IUPAC7-methoxy-1-methyl-2-oxo-3,4-dihydroquinoline-6-carboxylic acid
SMILESCOc1cc2c(cc1C(=O)O)CCC(=O)N2C
InChIInChI=1S/C12H13NO4/c1-13-9-6-10(17-2)8(12(15)16)5-7(9)3-4-11(13)14/h5-6H,3-4H2,1-2H3,(H,15,16)
InChIKeyMNSMVDGPZNMHKI-UHFFFAOYSA-N
MW235.24 g/mol
LogP1.30
Rot. Bonds2

About 7-methoxy-1-methyl-2-oxo-3,4-dihydroquinoline-6-carboxylic acid

7-methoxy-1-methyl-2-oxo-3,4-dihydroquinoline-6-carboxylic acid (PubChem CID 117209612) has the molecular formula C12H13NO4 and a molecular weight of 235.24 g/mol. Its IUPAC name is 7-methoxy-1-methyl-2-oxo-3,4-dihydroquinoline-6-carboxylic acid.

Molecular Properties

Compound Name7-methoxy-1-methyl-2-oxo-3,4-dihydroquinoline-6-carboxylic acid
PubChem CID117209612
Molecular FormulaC12H13NO4
Molecular Weight235.24 g/mol
Exact Mass235.08
IUPAC Name7-methoxy-1-methyl-2-oxo-3,4-dihydroquinoline-6-carboxylic acid
SMILESCOc1cc2c(cc1C(=O)O)CCC(=O)N2C
InChIInChI=1S/C12H13NO4/c1-13-9-6-10(17-2)8(12(15)16)5-7(9)3-4-11(13)14/h5-6H,3-4H2,1-2H3,(H,15,16)
InChIKeyMNSMVDGPZNMHKI-UHFFFAOYSA-N
XLogP1.30
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.24
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Launch Full Analysis

Related Compounds

6-methoxy-1-methyl-2-oxo-3,4-dihydroquinoline-7-carboxylic acid
CID 68935618
6-methoxy-2,3-dihydro-1H-indene-5-carboxylic acid;hydrochloride
CID 67783530
(2S)-2-fluoro-7-methoxy-1,3-dimethyl-3,4-dihydro-2H-quinoline-6-carboxylic acid
CID 144701597
6-hydroxy-1-methyl-2-oxo-3H-indole-5-carboxylic acid
CID 117209495
7-methoxy-1,2,2,4-tetramethyl-3,4-dihydroquinoline-6-carboxylic acid
CID 133202977
5-chloro-4-(3,5-dioxomorpholin-4-yl)-2-methoxybenzoic acid
CID 61329519
2-ethyl-7-methoxy-3,4-dihydro-1H-isoquinoline-6-carboxylic acid
CID 83956831
3-methoxy-7,8-dihydronaphthalene-2-carboxylic acid
CID 12738480
methyl N-(6-hydroxy-7-methoxy-2-oxo-3,4-dihydroquinolin-1-yl)carbamate
CID 11140050
2-(3-chloro-4-methoxyphenyl)-N-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)acetamide
CID 71842987
1-methyl-2-oxo-3,4-dihydroquinoline-7-carboxamide
CID 175851007
6-(4-bromobenzoyl)-1-methyl-3,4-dihydroquinolin-2-one
CID 63096081

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-1-methyl-2-oxo-3,4-dihydroquinoline-6-carboxylic acid?
The IUPAC name of 7-methoxy-1-methyl-2-oxo-3,4-dihydroquinoline-6-carboxylic acid (CID 117209612) is 7-methoxy-1-methyl-2-oxo-3,4-dihydroquinoline-6-carboxylic acid.
What is the SMILES notation for 7-methoxy-1-methyl-2-oxo-3,4-dihydroquinoline-6-carboxylic acid?
The canonical SMILES for 7-methoxy-1-methyl-2-oxo-3,4-dihydroquinoline-6-carboxylic acid is COc1cc2c(cc1C(=O)O)CCC(=O)N2C.
What is the InChIKey of 7-methoxy-1-methyl-2-oxo-3,4-dihydroquinoline-6-carboxylic acid?
The InChIKey is MNSMVDGPZNMHKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO4/c1-13-9-6-10(17-2)8(12(15)16)5-7(9)3-4-11(13)14/h5-6H,3-4H2,1-2H3,(H,15,16).
What are the key properties of 7-methoxy-1-methyl-2-oxo-3,4-dihydroquinoline-6-carboxylic acid?
7-methoxy-1-methyl-2-oxo-3,4-dihydroquinoline-6-carboxylic acid has a molecular weight of 235.24 g/mol, XLogP of 1.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-1-methyl-2-oxo-3,4-dihydroquinoline-6-carboxylic acid is sourced from PubChem (CID 117209612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).