methyl 3-(7-chloro-2-oxo-3-phenyl-1H-quinolin-4-yl)propanoate

C19H16ClNO3 — CID 10497454

IUPACmethyl 3-(7-chloro-2-oxo-3-phenyl-1H-quinolin-4-yl)propanoate
SMILESCOC(=O)CCc1c(-c2ccccc2)c(=O)[nH]c2cc(Cl)ccc12
InChIInChI=1S/C19H16ClNO3/c1-24-17(22)10-9-15-14-8-7-13(20)11-16(14)21-19(23)18(15)12-5-3-2-4-6-12/h2-8,11H,9-10H2,1H3,(H,21,23)
InChIKeyLTTRIDQMWCACPM-UHFFFAOYSA-N
MW341.79 g/mol
LogP3.95
Rot. Bonds4

About methyl 3-(7-chloro-2-oxo-3-phenyl-1H-quinolin-4-yl)propanoate

methyl 3-(7-chloro-2-oxo-3-phenyl-1H-quinolin-4-yl)propanoate (PubChem CID 10497454) has the molecular formula C19H16ClNO3 and a molecular weight of 341.79 g/mol. Its IUPAC name is methyl 3-(7-chloro-2-oxo-3-phenyl-1H-quinolin-4-yl)propanoate.

Molecular Properties

Compound Namemethyl 3-(7-chloro-2-oxo-3-phenyl-1H-quinolin-4-yl)propanoate
PubChem CID10497454
Molecular FormulaC19H16ClNO3
Molecular Weight341.79 g/mol
Exact Mass341.08
IUPAC Namemethyl 3-(7-chloro-2-oxo-3-phenyl-1H-quinolin-4-yl)propanoate
SMILESCOC(=O)CCc1c(-c2ccccc2)c(=O)[nH]c2cc(Cl)ccc12
InChIInChI=1S/C19H16ClNO3/c1-24-17(22)10-9-15-14-8-7-13(20)11-16(14)21-19(23)18(15)12-5-3-2-4-6-12/h2-8,11H,9-10H2,1H3,(H,21,23)
InChIKeyLTTRIDQMWCACPM-UHFFFAOYSA-N
XLogP3.95
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.79
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(7-Chloro-2-oxo-3-phenyl-1,2-dihydro-quinolin-4-yl)-propionamide
CID 10568175
(7-Chloro-2-oxo-3-phenyl-1,2-dihydro-quinolin-4-yloxy)-acetic acid methyl ester
CID 10617376
7-Chloro-2-oxo-3-phenyl-1,2-dihydro-quinoline-4-carboxylic acid
CID 10661904
3-(7-Chloro-2-oxo-3-phenyl-1,2-dihydro-quinolin-4-yl)-propionic acid
CID 10711325
(7-Chloro-2-oxo-3-phenyl-1,2-dihydro-quinolin-4-yl)-acetic acid
CID 10757592
3-(7-Chloro-2-oxo-3-phenyl-1,2-dihydro-quinolin-4-yl)-propionitrile
CID 10781154
N-(7-Chloro-2-oxo-3-phenyl-1,2-dihydro-quinolin-4-yl)-oxalamic acid
CID 10831196
sodium (4E)-4-(2-anilino-2-oxoethylidene)-7-chloro-2,3-dihydro-1H-quinoline-2-carboxylate
CID 23711451
3-[3-[[(2S,3R)-2-(4-chlorophenyl)-4,4,4-trifluoro-3-methylbutanoyl]amino]-2-methylphenyl]propanoic acid
CID 58288201
4-amino-7-chloro-3-phenyl-1H-quinolin-2-one
CID 10707207
Methyl {4-[(2-chlorobenzoyl)amino]phenyl}acetate
CID 892498
[2-(5-Chloro-2-methylanilino)-2-oxoethyl] cyclohexanecarboxylate
CID 2335922

Frequently Asked Questions

What is the IUPAC name of methyl 3-(7-chloro-2-oxo-3-phenyl-1H-quinolin-4-yl)propanoate?
The IUPAC name of methyl 3-(7-chloro-2-oxo-3-phenyl-1H-quinolin-4-yl)propanoate (CID 10497454) is methyl 3-(7-chloro-2-oxo-3-phenyl-1H-quinolin-4-yl)propanoate.
What is the SMILES notation for methyl 3-(7-chloro-2-oxo-3-phenyl-1H-quinolin-4-yl)propanoate?
The canonical SMILES for methyl 3-(7-chloro-2-oxo-3-phenyl-1H-quinolin-4-yl)propanoate is COC(=O)CCc1c(-c2ccccc2)c(=O)[nH]c2cc(Cl)ccc12.
What is the InChIKey of methyl 3-(7-chloro-2-oxo-3-phenyl-1H-quinolin-4-yl)propanoate?
The InChIKey is LTTRIDQMWCACPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClNO3/c1-24-17(22)10-9-15-14-8-7-13(20)11-16(14)21-19(23)18(15)12-5-3-2-4-6-12/h2-8,11H,9-10H2,1H3,(H,21,23).
What are the key properties of methyl 3-(7-chloro-2-oxo-3-phenyl-1H-quinolin-4-yl)propanoate?
methyl 3-(7-chloro-2-oxo-3-phenyl-1H-quinolin-4-yl)propanoate has a molecular weight of 341.79 g/mol, XLogP of 3.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(7-chloro-2-oxo-3-phenyl-1H-quinolin-4-yl)propanoate is sourced from PubChem (CID 10497454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).