(E)-3-(7-methoxy-1,4-dimethyl-2-oxoquinolin-3-yl)prop-2-enoic acid

C15H15NO4 — CID 84641860

IUPAC(E)-3-(7-methoxy-1,4-dimethyl-2-oxoquinolin-3-yl)prop-2-enoic acid
SMILESCOc1ccc2c(C)c(/C=C/C(=O)O)c(=O)n(C)c2c1
InChIInChI=1S/C15H15NO4/c1-9-11-5-4-10(20-3)8-13(11)16(2)15(19)12(9)6-7-14(17)18/h4-8H,1-3H3,(H,17,18)/b7-6+
InChIKeyYYUHTVRPPWMHOY-VOTSOKGWSA-N
MW273.29 g/mol
LogP1.95
Rot. Bonds3

About (E)-3-(7-methoxy-1,4-dimethyl-2-oxoquinolin-3-yl)prop-2-enoic acid

(E)-3-(7-methoxy-1,4-dimethyl-2-oxoquinolin-3-yl)prop-2-enoic acid (PubChem CID 84641860) has the molecular formula C15H15NO4 and a molecular weight of 273.29 g/mol. Its IUPAC name is (E)-3-(7-methoxy-1,4-dimethyl-2-oxoquinolin-3-yl)prop-2-enoic acid.

Molecular Properties

Compound Name(E)-3-(7-methoxy-1,4-dimethyl-2-oxoquinolin-3-yl)prop-2-enoic acid
PubChem CID84641860
Molecular FormulaC15H15NO4
Molecular Weight273.29 g/mol
Exact Mass273.10
IUPAC Name(E)-3-(7-methoxy-1,4-dimethyl-2-oxoquinolin-3-yl)prop-2-enoic acid
SMILESCOc1ccc2c(C)c(/C=C/C(=O)O)c(=O)n(C)c2c1
InChIInChI=1S/C15H15NO4/c1-9-11-5-4-10(20-3)8-13(11)16(2)15(19)12(9)6-7-14(17)18/h4-8H,1-3H3,(H,17,18)/b7-6+
InChIKeyYYUHTVRPPWMHOY-VOTSOKGWSA-N
XLogP1.95
TPSA68.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 51.95
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-(6-methoxy-1,2-dimethylindol-3-yl)prop-2-enoic acid
CID 82497828
3-(7-methoxy-1-methyl-2-oxoquinolin-3-yl)prop-2-enoic acid
CID 71964428
3-(aminomethyl)-7-methoxy-1,4-dimethylquinolin-2-one
CID 84626906
(E)-3-(2-chloro-5-methoxy-1-methylindol-3-yl)prop-2-enoic acid
CID 82268867
3,4,7-trimethoxy-1-methylquinolin-2-one
CID 20676861
3,8-dimethoxy-5-methylphenanthridin-6-one
CID 164597930
4-hydroxy-3,7-dimethoxy-1-methylquinolin-2-one
CID 54737447
(E)-3-(4,6-dimethoxy-1,2-dimethylindol-3-yl)prop-2-enoic acid
CID 98033691
7-methoxy-1-methyl-4-oxoquinoline-2-carboxylic acid
CID 82243051
methyl 3-formyl-6-methoxy-1-methylindole-2-carboxylate
CID 4777747
2-(7-methoxy-1-methyl-2,4-dioxoquinazolin-3-yl)acetic acid
CID 117263069
(E)-3-[2-chloro-5-methoxy-1-(2-methoxyethyl)indol-3-yl]prop-2-enoic acid
CID 82268905

Frequently Asked Questions

What is the IUPAC name of (E)-3-(7-methoxy-1,4-dimethyl-2-oxoquinolin-3-yl)prop-2-enoic acid?
The IUPAC name of (E)-3-(7-methoxy-1,4-dimethyl-2-oxoquinolin-3-yl)prop-2-enoic acid (CID 84641860) is (E)-3-(7-methoxy-1,4-dimethyl-2-oxoquinolin-3-yl)prop-2-enoic acid.
What is the SMILES notation for (E)-3-(7-methoxy-1,4-dimethyl-2-oxoquinolin-3-yl)prop-2-enoic acid?
The canonical SMILES for (E)-3-(7-methoxy-1,4-dimethyl-2-oxoquinolin-3-yl)prop-2-enoic acid is COc1ccc2c(C)c(/C=C/C(=O)O)c(=O)n(C)c2c1.
What is the InChIKey of (E)-3-(7-methoxy-1,4-dimethyl-2-oxoquinolin-3-yl)prop-2-enoic acid?
The InChIKey is YYUHTVRPPWMHOY-VOTSOKGWSA-N. The full InChI is InChI=1S/C15H15NO4/c1-9-11-5-4-10(20-3)8-13(11)16(2)15(19)12(9)6-7-14(17)18/h4-8H,1-3H3,(H,17,18)/b7-6+.
What are the key properties of (E)-3-(7-methoxy-1,4-dimethyl-2-oxoquinolin-3-yl)prop-2-enoic acid?
(E)-3-(7-methoxy-1,4-dimethyl-2-oxoquinolin-3-yl)prop-2-enoic acid has a molecular weight of 273.29 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(7-methoxy-1,4-dimethyl-2-oxoquinolin-3-yl)prop-2-enoic acid is sourced from PubChem (CID 84641860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).