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

C18H15ClN2O2 — CID 10568175

IUPAC3-(7-chloro-2-oxo-3-phenyl-1H-quinolin-4-yl)propanamide
SMILESNC(=O)CCc1c(-c2ccccc2)c(=O)[nH]c2cc(Cl)ccc12
InChIInChI=1S/C18H15ClN2O2/c19-12-6-7-13-14(8-9-16(20)22)17(11-4-2-1-3-5-11)18(23)21-15(13)10-12/h1-7,10H,8-9H2,(H2,20,22)(H,21,23)
InChIKeyWOVVEOSJEASHFH-UHFFFAOYSA-N
MW326.78 g/mol
LogP3.27
Rot. Bonds4

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

3-(7-chloro-2-oxo-3-phenyl-1H-quinolin-4-yl)propanamide (PubChem CID 10568175) has the molecular formula C18H15ClN2O2 and a molecular weight of 326.78 g/mol. Its IUPAC name is 3-(7-chloro-2-oxo-3-phenyl-1H-quinolin-4-yl)propanamide.

Molecular Properties

Compound Name3-(7-chloro-2-oxo-3-phenyl-1H-quinolin-4-yl)propanamide
PubChem CID10568175
Molecular FormulaC18H15ClN2O2
Molecular Weight326.78 g/mol
Exact Mass326.08
IUPAC Name3-(7-chloro-2-oxo-3-phenyl-1H-quinolin-4-yl)propanamide
SMILESNC(=O)CCc1c(-c2ccccc2)c(=O)[nH]c2cc(Cl)ccc12
InChIInChI=1S/C18H15ClN2O2/c19-12-6-7-13-14(8-9-16(20)22)17(11-4-2-1-3-5-11)18(23)21-15(13)10-12/h1-7,10H,8-9H2,(H2,20,22)(H,21,23)
InChIKeyWOVVEOSJEASHFH-UHFFFAOYSA-N
XLogP3.27
TPSA75.95 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.78
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(7-chloro-2-oxo-3-phenyl-1H-quinolin-4-yl)propanamide?
The IUPAC name of 3-(7-chloro-2-oxo-3-phenyl-1H-quinolin-4-yl)propanamide (CID 10568175) is 3-(7-chloro-2-oxo-3-phenyl-1H-quinolin-4-yl)propanamide.
What is the SMILES notation for 3-(7-chloro-2-oxo-3-phenyl-1H-quinolin-4-yl)propanamide?
The canonical SMILES for 3-(7-chloro-2-oxo-3-phenyl-1H-quinolin-4-yl)propanamide is NC(=O)CCc1c(-c2ccccc2)c(=O)[nH]c2cc(Cl)ccc12.
What is the InChIKey of 3-(7-chloro-2-oxo-3-phenyl-1H-quinolin-4-yl)propanamide?
The InChIKey is WOVVEOSJEASHFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN2O2/c19-12-6-7-13-14(8-9-16(20)22)17(11-4-2-1-3-5-11)18(23)21-15(13)10-12/h1-7,10H,8-9H2,(H2,20,22)(H,21,23).
What are the key properties of 3-(7-chloro-2-oxo-3-phenyl-1H-quinolin-4-yl)propanamide?
3-(7-chloro-2-oxo-3-phenyl-1H-quinolin-4-yl)propanamide has a molecular weight of 326.78 g/mol, XLogP of 3.27, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-chloro-2-oxo-3-phenyl-1H-quinolin-4-yl)propanamide is sourced from PubChem (CID 10568175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).