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

C18H14ClNO3 — CID 10711325

IUPAC3-(7-chloro-2-oxo-3-phenyl-1H-quinolin-4-yl)propanoic acid
SMILESO=C(O)CCc1c(-c2ccccc2)c(=O)[nH]c2cc(Cl)ccc12
InChIInChI=1S/C18H14ClNO3/c19-12-6-7-13-14(8-9-16(21)22)17(11-4-2-1-3-5-11)18(23)20-15(13)10-12/h1-7,10H,8-9H2,(H,20,23)(H,21,22)
InChIKeyOAZOOHDIRFGNPP-UHFFFAOYSA-N
MW327.77 g/mol
LogP3.87
Rot. Bonds4

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

3-(7-chloro-2-oxo-3-phenyl-1H-quinolin-4-yl)propanoic acid (PubChem CID 10711325) has the molecular formula C18H14ClNO3 and a molecular weight of 327.77 g/mol. Its IUPAC name is 3-(7-chloro-2-oxo-3-phenyl-1H-quinolin-4-yl)propanoic acid.

Molecular Properties

Compound Name3-(7-chloro-2-oxo-3-phenyl-1H-quinolin-4-yl)propanoic acid
PubChem CID10711325
Molecular FormulaC18H14ClNO3
Molecular Weight327.77 g/mol
Exact Mass327.07
IUPAC Name3-(7-chloro-2-oxo-3-phenyl-1H-quinolin-4-yl)propanoic acid
SMILESO=C(O)CCc1c(-c2ccccc2)c(=O)[nH]c2cc(Cl)ccc12
InChIInChI=1S/C18H14ClNO3/c19-12-6-7-13-14(8-9-16(21)22)17(11-4-2-1-3-5-11)18(23)20-15(13)10-12/h1-7,10H,8-9H2,(H,20,23)(H,21,22)
InChIKeyOAZOOHDIRFGNPP-UHFFFAOYSA-N
XLogP3.87
TPSA70.16 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.77
LogP ≤ 53.87
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)propanoic acid?
The IUPAC name of 3-(7-chloro-2-oxo-3-phenyl-1H-quinolin-4-yl)propanoic acid (CID 10711325) is 3-(7-chloro-2-oxo-3-phenyl-1H-quinolin-4-yl)propanoic acid.
What is the SMILES notation for 3-(7-chloro-2-oxo-3-phenyl-1H-quinolin-4-yl)propanoic acid?
The canonical SMILES for 3-(7-chloro-2-oxo-3-phenyl-1H-quinolin-4-yl)propanoic acid is O=C(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)propanoic acid?
The InChIKey is OAZOOHDIRFGNPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClNO3/c19-12-6-7-13-14(8-9-16(21)22)17(11-4-2-1-3-5-11)18(23)20-15(13)10-12/h1-7,10H,8-9H2,(H,20,23)(H,21,22).
What are the key properties of 3-(7-chloro-2-oxo-3-phenyl-1H-quinolin-4-yl)propanoic acid?
3-(7-chloro-2-oxo-3-phenyl-1H-quinolin-4-yl)propanoic acid has a molecular weight of 327.77 g/mol, XLogP of 3.87, 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)propanoic acid is sourced from PubChem (CID 10711325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).