2-[3-[7-chloro-6-[4-(2-fluorophenyl)phenyl]-2-oxo-1H-quinolin-3-yl]phenyl]acetic acid

C29H19ClFNO3 — CID 162354351

IUPAC2-[3-[7-chloro-6-[4-(2-fluorophenyl)phenyl]-2-oxo-1H-quinolin-3-yl]phenyl]acetic acid
SMILESO=C(O)Cc1cccc(-c2cc3cc(-c4ccc(-c5ccccc5F)cc4)c(Cl)cc3[nH]c2=O)c1
InChIInChI=1S/C29H19ClFNO3/c30-25-16-27-21(15-24(29(35)32-27)20-5-3-4-17(12-20)13-28(33)34)14-23(25)19-10-8-18(9-11-19)22-6-1-2-7-26(22)31/h1-12,14-16H,13H2,(H,32,35)(H,33,34)
InChIKeyNCVTURQSXHBBAQ-UHFFFAOYSA-N
MW483.93 g/mol
LogP6.95
Rot. Bonds5

About 2-[3-[7-chloro-6-[4-(2-fluorophenyl)phenyl]-2-oxo-1H-quinolin-3-yl]phenyl]acetic acid

2-[3-[7-chloro-6-[4-(2-fluorophenyl)phenyl]-2-oxo-1H-quinolin-3-yl]phenyl]acetic acid (PubChem CID 162354351) has the molecular formula C29H19ClFNO3 and a molecular weight of 483.93 g/mol. Its IUPAC name is 2-[3-[7-chloro-6-[4-(2-fluorophenyl)phenyl]-2-oxo-1H-quinolin-3-yl]phenyl]acetic acid.

Molecular Properties

Compound Name2-[3-[7-chloro-6-[4-(2-fluorophenyl)phenyl]-2-oxo-1H-quinolin-3-yl]phenyl]acetic acid
PubChem CID162354351
Molecular FormulaC29H19ClFNO3
Molecular Weight483.93 g/mol
Exact Mass483.10
IUPAC Name2-[3-[7-chloro-6-[4-(2-fluorophenyl)phenyl]-2-oxo-1H-quinolin-3-yl]phenyl]acetic acid
SMILESO=C(O)Cc1cccc(-c2cc3cc(-c4ccc(-c5ccccc5F)cc4)c(Cl)cc3[nH]c2=O)c1
InChIInChI=1S/C29H19ClFNO3/c30-25-16-27-21(15-24(29(35)32-27)20-5-3-4-17(12-20)13-28(33)34)14-23(25)19-10-8-18(9-11-19)22-6-1-2-7-26(22)31/h1-12,14-16H,13H2,(H,32,35)(H,33,34)
InChIKeyNCVTURQSXHBBAQ-UHFFFAOYSA-N
XLogP6.95
TPSA70.16 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.93
LogP ≤ 56.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-[7-chloro-6-[4-(dimethylamino)phenyl]-2-oxo-1H-quinolin-3-yl]phenyl]acetic acid
CID 162354369
2-[3-[7-chloro-6-[4-(2-hydroxyphenyl)phenyl]-2-oxo-1H-quinolin-3-yl]-5-methylphenyl]acetic acid
CID 162354302
ethyl 2-[3-[7-chloro-6-[4-(2-hydroxyphenyl)phenyl]-2-oxo-1H-quinolin-3-yl]phenyl]acetate
CID 162354359
ethyl 2-[3-[7-chloro-6-[4-(2,6-dihydroxyphenyl)phenyl]-2-oxo-1H-quinolin-3-yl]phenyl]acetate
CID 162354337
ethyl 2-[3-[7-chloro-6-[4-(dimethylamino)phenyl]-2-oxo-1H-quinolin-3-yl]phenyl]acetate
CID 162354401
ethyl 2-[3-[7-chloro-6-[4-[1-(hydroxymethyl)cyclopropyl]phenyl]-2-oxo-1H-quinolin-3-yl]phenyl]acetate
CID 162354388
2-[3-[2-[3-(carboxymethyl)phenyl]phenyl]phenyl]acetic acid
CID 118456825
2-[3-(2-chloro-4-fluorophenyl)phenyl]acetic acid
CID 155508313
ethyl 2-[4-[7-chloro-6-[4-(2-hydroxyphenyl)phenyl]-2-oxo-1H-quinolin-3-yl]phenyl]acetate
CID 162354375
2-[3-(5,6-dimethyl-2-oxo-1H-pyridin-3-yl)phenyl]acetic acid
CID 155912996
6-chloro-5-[4-(2-fluorophenyl)phenyl]-1,3-dihydroimidazo[4,5-b]pyridin-2-one
CID 138567693
2-[4-[[6-chloro-5-(4-phenylphenyl)-1H-benzimidazol-2-yl]oxy]phenyl]acetic acid
CID 59267457

Frequently Asked Questions

What is the IUPAC name of 2-[3-[7-chloro-6-[4-(2-fluorophenyl)phenyl]-2-oxo-1H-quinolin-3-yl]phenyl]acetic acid?
The IUPAC name of 2-[3-[7-chloro-6-[4-(2-fluorophenyl)phenyl]-2-oxo-1H-quinolin-3-yl]phenyl]acetic acid (CID 162354351) is 2-[3-[7-chloro-6-[4-(2-fluorophenyl)phenyl]-2-oxo-1H-quinolin-3-yl]phenyl]acetic acid.
What is the SMILES notation for 2-[3-[7-chloro-6-[4-(2-fluorophenyl)phenyl]-2-oxo-1H-quinolin-3-yl]phenyl]acetic acid?
The canonical SMILES for 2-[3-[7-chloro-6-[4-(2-fluorophenyl)phenyl]-2-oxo-1H-quinolin-3-yl]phenyl]acetic acid is O=C(O)Cc1cccc(-c2cc3cc(-c4ccc(-c5ccccc5F)cc4)c(Cl)cc3[nH]c2=O)c1.
What is the InChIKey of 2-[3-[7-chloro-6-[4-(2-fluorophenyl)phenyl]-2-oxo-1H-quinolin-3-yl]phenyl]acetic acid?
The InChIKey is NCVTURQSXHBBAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H19ClFNO3/c30-25-16-27-21(15-24(29(35)32-27)20-5-3-4-17(12-20)13-28(33)34)14-23(25)19-10-8-18(9-11-19)22-6-1-2-7-26(22)31/h1-12,14-16H,13H2,(H,32,35)(H,33,34).
What are the key properties of 2-[3-[7-chloro-6-[4-(2-fluorophenyl)phenyl]-2-oxo-1H-quinolin-3-yl]phenyl]acetic acid?
2-[3-[7-chloro-6-[4-(2-fluorophenyl)phenyl]-2-oxo-1H-quinolin-3-yl]phenyl]acetic acid has a molecular weight of 483.93 g/mol, XLogP of 6.95, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[7-chloro-6-[4-(2-fluorophenyl)phenyl]-2-oxo-1H-quinolin-3-yl]phenyl]acetic acid is sourced from PubChem (CID 162354351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).