3-(7-methoxy-1-methyl-2-oxoquinolin-3-yl)prop-2-enoic acid

C14H13NO4 — CID 71964428

IUPAC3-(7-methoxy-1-methyl-2-oxoquinolin-3-yl)prop-2-enoic acid
SMILESCOc1ccc2cc(C=CC(=O)O)c(=O)n(C)c2c1
InChIInChI=1S/C14H13NO4/c1-15-12-8-11(19-2)5-3-9(12)7-10(14(15)18)4-6-13(16)17/h3-8H,1-2H3,(H,16,17)
InChIKeyIMKYKJSKOLSICI-UHFFFAOYSA-N
MW259.26 g/mol
LogP1.64
Rot. Bonds3

About 3-(7-methoxy-1-methyl-2-oxoquinolin-3-yl)prop-2-enoic acid

3-(7-methoxy-1-methyl-2-oxoquinolin-3-yl)prop-2-enoic acid (PubChem CID 71964428) has the molecular formula C14H13NO4 and a molecular weight of 259.26 g/mol. Its IUPAC name is 3-(7-methoxy-1-methyl-2-oxoquinolin-3-yl)prop-2-enoic acid.

Molecular Properties

Compound Name3-(7-methoxy-1-methyl-2-oxoquinolin-3-yl)prop-2-enoic acid
PubChem CID71964428
Molecular FormulaC14H13NO4
Molecular Weight259.26 g/mol
Exact Mass259.08
IUPAC Name3-(7-methoxy-1-methyl-2-oxoquinolin-3-yl)prop-2-enoic acid
SMILESCOc1ccc2cc(C=CC(=O)O)c(=O)n(C)c2c1
InChIInChI=1S/C14H13NO4/c1-15-12-8-11(19-2)5-3-9(12)7-10(14(15)18)4-6-13(16)17/h3-8H,1-2H3,(H,16,17)
InChIKeyIMKYKJSKOLSICI-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

(E)-3-(7-methoxy-1,4-dimethyl-2-oxoquinolin-3-yl)prop-2-enoic acid
CID 84641860
3-ethyl-7-methoxy-1-methylquinolin-2-one
CID 143543946
(E)-3-(6-methoxy-1,2-dimethylindol-3-yl)prop-2-enoic acid
CID 82497828
3-[2-fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]-7-methoxy-1-methylquinolin-2-one
CID 171111804
azane;3-(4-methoxyphenyl)prop-2-enoic acid
CID 69170701
CID 69129935
CID 69129935
3-(6-methoxyquinolin-2-yl)prop-2-enoic acid
CID 68678260
6-methoxy-1-methylindol-2-ol
CID 141043556
(E)-3-(2-chloro-5-methoxy-1-methylindol-3-yl)prop-2-enoic acid
CID 82268867
3-[4-(4-methoxyphenoxy)phenyl]prop-2-enoic acid
CID 20993961
(E)-3-(2-acetamido-4-methoxyphenyl)prop-2-enoic acid
CID 67215978
6-(2,5-dimethoxyphenyl)-4-oxohexa-2,5-dienoic acid
CID 54025408

Frequently Asked Questions

What is the IUPAC name of 3-(7-methoxy-1-methyl-2-oxoquinolin-3-yl)prop-2-enoic acid?
The IUPAC name of 3-(7-methoxy-1-methyl-2-oxoquinolin-3-yl)prop-2-enoic acid (CID 71964428) is 3-(7-methoxy-1-methyl-2-oxoquinolin-3-yl)prop-2-enoic acid.
What is the SMILES notation for 3-(7-methoxy-1-methyl-2-oxoquinolin-3-yl)prop-2-enoic acid?
The canonical SMILES for 3-(7-methoxy-1-methyl-2-oxoquinolin-3-yl)prop-2-enoic acid is COc1ccc2cc(C=CC(=O)O)c(=O)n(C)c2c1.
What is the InChIKey of 3-(7-methoxy-1-methyl-2-oxoquinolin-3-yl)prop-2-enoic acid?
The InChIKey is IMKYKJSKOLSICI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO4/c1-15-12-8-11(19-2)5-3-9(12)7-10(14(15)18)4-6-13(16)17/h3-8H,1-2H3,(H,16,17).
What are the key properties of 3-(7-methoxy-1-methyl-2-oxoquinolin-3-yl)prop-2-enoic acid?
3-(7-methoxy-1-methyl-2-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 3-(7-methoxy-1-methyl-2-oxoquinolin-3-yl)prop-2-enoic acid is sourced from PubChem (CID 71964428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).