2-(6-methoxy-1-methyl-4-oxoquinolin-3-yl)prop-2-enoic acid

C14H13NO4 — CID 70510387

IUPAC2-(6-methoxy-1-methyl-4-oxoquinolin-3-yl)prop-2-enoic acid
SMILESC=C(C(=O)O)c1cn(C)c2ccc(OC)cc2c1=O
InChIInChI=1S/C14H13NO4/c1-8(14(17)18)11-7-15(2)12-5-4-9(19-3)6-10(12)13(11)16/h4-7H,1H2,2-3H3,(H,17,18)
InChIKeyOQRVJTYSRCZLFS-UHFFFAOYSA-N
MW259.26 g/mol
LogP1.64
Rot. Bonds3

About 2-(6-methoxy-1-methyl-4-oxoquinolin-3-yl)prop-2-enoic acid

2-(6-methoxy-1-methyl-4-oxoquinolin-3-yl)prop-2-enoic acid (PubChem CID 70510387) has the molecular formula C14H13NO4 and a molecular weight of 259.26 g/mol. Its IUPAC name is 2-(6-methoxy-1-methyl-4-oxoquinolin-3-yl)prop-2-enoic acid.

Molecular Properties

Compound Name2-(6-methoxy-1-methyl-4-oxoquinolin-3-yl)prop-2-enoic acid
PubChem CID70510387
Molecular FormulaC14H13NO4
Molecular Weight259.26 g/mol
Exact Mass259.08
IUPAC Name2-(6-methoxy-1-methyl-4-oxoquinolin-3-yl)prop-2-enoic acid
SMILESC=C(C(=O)O)c1cn(C)c2ccc(OC)cc2c1=O
InChIInChI=1S/C14H13NO4/c1-8(14(17)18)11-7-15(2)12-5-4-9(19-3)6-10(12)13(11)16/h4-7H,1H2,2-3H3,(H,17,18)
InChIKeyOQRVJTYSRCZLFS-UHFFFAOYSA-N
XLogP1.64
TPSA68.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.26
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-(1-methyl-4-oxoquinolin-3-yl)prop-2-enoic acid
CID 70512999
1-methyl-4-oxo-6-(trifluoromethoxy)quinoline-3-carboxylic acid
CID 82250058
ethyl 2-(5-methoxy-1-methylindol-3-yl)-2-oxoacetate
CID 23315285
6-ethoxy-N-[(4-methoxyphenyl)methyl]-1-methyl-4-oxoquinoline-3-carboxamide
CID 30133854
6-methoxy-1-methyl-3-(methylsulfonylmethyl)quinolin-4-one
CID 12807853
6-methoxy-3-(4-methoxyphenyl)sulfonyl-1-methylquinolin-4-one
CID 18559299
(5-methoxy-1-methylindol-3-yl)boronic acid
CID 58933386
[(E)-[(5-methoxy-1-methylindol-3-yl)-phenylmethylidene]amino] acetate
CID 126609591
6-ethoxy-3-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-1-methylquinolin-4-one
CID 30134004
3-bromo-5-methoxy-1-methylindole
CID 67003649
6-ethoxy-1-methyl-4-oxo-N-phenylquinoline-3-carboxamide
CID 30133870
1-(3,4-dimethoxyphenyl)-6-methoxy-4-oxoquinoline-3-carboxylic acid
CID 139890801

Frequently Asked Questions

What is the IUPAC name of 2-(6-methoxy-1-methyl-4-oxoquinolin-3-yl)prop-2-enoic acid?
The IUPAC name of 2-(6-methoxy-1-methyl-4-oxoquinolin-3-yl)prop-2-enoic acid (CID 70510387) is 2-(6-methoxy-1-methyl-4-oxoquinolin-3-yl)prop-2-enoic acid.
What is the SMILES notation for 2-(6-methoxy-1-methyl-4-oxoquinolin-3-yl)prop-2-enoic acid?
The canonical SMILES for 2-(6-methoxy-1-methyl-4-oxoquinolin-3-yl)prop-2-enoic acid is C=C(C(=O)O)c1cn(C)c2ccc(OC)cc2c1=O.
What is the InChIKey of 2-(6-methoxy-1-methyl-4-oxoquinolin-3-yl)prop-2-enoic acid?
The InChIKey is OQRVJTYSRCZLFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO4/c1-8(14(17)18)11-7-15(2)12-5-4-9(19-3)6-10(12)13(11)16/h4-7H,1H2,2-3H3,(H,17,18).
What are the key properties of 2-(6-methoxy-1-methyl-4-oxoquinolin-3-yl)prop-2-enoic acid?
2-(6-methoxy-1-methyl-4-oxoquinolin-3-yl)prop-2-enoic acid has a molecular weight of 259.26 g/mol, XLogP of 1.64, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methoxy-1-methyl-4-oxoquinolin-3-yl)prop-2-enoic acid is sourced from PubChem (CID 70510387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).