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

C25H21ClN2O3 — CID 162354369

IUPAC2-[3-[7-chloro-6-[4-(dimethylamino)phenyl]-2-oxo-1H-quinolin-3-yl]phenyl]acetic acid
SMILESCN(C)c1ccc(-c2cc3cc(-c4cccc(CC(=O)O)c4)c(=O)[nH]c3cc2Cl)cc1
InChIInChI=1S/C25H21ClN2O3/c1-28(2)19-8-6-16(7-9-19)20-12-18-13-21(25(31)27-23(18)14-22(20)26)17-5-3-4-15(10-17)11-24(29)30/h3-10,12-14H,11H2,1-2H3,(H,27,31)(H,29,30)
InChIKeyBWZYFTXBUWKGFB-UHFFFAOYSA-N
MW432.91 g/mol
LogP5.21
Rot. Bonds5

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

2-[3-[7-chloro-6-[4-(dimethylamino)phenyl]-2-oxo-1H-quinolin-3-yl]phenyl]acetic acid (PubChem CID 162354369) has the molecular formula C25H21ClN2O3 and a molecular weight of 432.91 g/mol. Its IUPAC name is 2-[3-[7-chloro-6-[4-(dimethylamino)phenyl]-2-oxo-1H-quinolin-3-yl]phenyl]acetic acid.

Molecular Properties

Compound Name2-[3-[7-chloro-6-[4-(dimethylamino)phenyl]-2-oxo-1H-quinolin-3-yl]phenyl]acetic acid
PubChem CID162354369
Molecular FormulaC25H21ClN2O3
Molecular Weight432.91 g/mol
Exact Mass432.12
IUPAC Name2-[3-[7-chloro-6-[4-(dimethylamino)phenyl]-2-oxo-1H-quinolin-3-yl]phenyl]acetic acid
SMILESCN(C)c1ccc(-c2cc3cc(-c4cccc(CC(=O)O)c4)c(=O)[nH]c3cc2Cl)cc1
InChIInChI=1S/C25H21ClN2O3/c1-28(2)19-8-6-16(7-9-19)20-12-18-13-21(25(31)27-23(18)14-22(20)26)17-5-3-4-15(10-17)11-24(29)30/h3-10,12-14H,11H2,1-2H3,(H,27,31)(H,29,30)
InChIKeyBWZYFTXBUWKGFB-UHFFFAOYSA-N
XLogP5.21
TPSA73.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.91
LogP ≤ 55.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[3-[7-chloro-6-[4-(dimethylamino)phenyl]-2-oxo-1H-quinolin-3-yl]phenyl]acetic acid with MolForge

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Related Compounds

ethyl 2-[3-[7-chloro-6-[4-(dimethylamino)phenyl]-2-oxo-1H-quinolin-3-yl]phenyl]acetate
CID 162354401
2-[3-[7-chloro-6-[4-(2-fluorophenyl)phenyl]-2-oxo-1H-quinolin-3-yl]phenyl]acetic acid
CID 162354351
ethyl 2-[3-[7-chloro-6-[4-(2,6-dihydroxyphenyl)phenyl]-2-oxo-1H-quinolin-3-yl]phenyl]acetate
CID 162354337
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-[1-(hydroxymethyl)cyclopropyl]phenyl]-2-oxo-1H-quinolin-3-yl]phenyl]acetate
CID 162354388
2-[3-(5,6-dimethyl-2-oxo-1H-pyridin-3-yl)phenyl]acetic acid
CID 155912996
ethyl 2-[4-[7-chloro-6-[4-(2-hydroxyphenyl)phenyl]-2-oxo-1H-quinolin-3-yl]phenyl]acetate
CID 162354375
2-[3-[2-[3-(carboxymethyl)phenyl]phenyl]phenyl]acetic acid
CID 118456825
2-[4-[3-(dimethylamino)phenyl]phenyl]acetic acid
CID 39226081
2-[3-(2-chloro-4-fluorophenyl)phenyl]acetic acid
CID 155508313
2-[4-[4-(dimethylamino)phenyl]phenyl]acetic acid
CID 39226143

Frequently Asked Questions

What is the IUPAC name of 2-[3-[7-chloro-6-[4-(dimethylamino)phenyl]-2-oxo-1H-quinolin-3-yl]phenyl]acetic acid?
The IUPAC name of 2-[3-[7-chloro-6-[4-(dimethylamino)phenyl]-2-oxo-1H-quinolin-3-yl]phenyl]acetic acid (CID 162354369) is 2-[3-[7-chloro-6-[4-(dimethylamino)phenyl]-2-oxo-1H-quinolin-3-yl]phenyl]acetic acid.
What is the SMILES notation for 2-[3-[7-chloro-6-[4-(dimethylamino)phenyl]-2-oxo-1H-quinolin-3-yl]phenyl]acetic acid?
The canonical SMILES for 2-[3-[7-chloro-6-[4-(dimethylamino)phenyl]-2-oxo-1H-quinolin-3-yl]phenyl]acetic acid is CN(C)c1ccc(-c2cc3cc(-c4cccc(CC(=O)O)c4)c(=O)[nH]c3cc2Cl)cc1.
What is the InChIKey of 2-[3-[7-chloro-6-[4-(dimethylamino)phenyl]-2-oxo-1H-quinolin-3-yl]phenyl]acetic acid?
The InChIKey is BWZYFTXBUWKGFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21ClN2O3/c1-28(2)19-8-6-16(7-9-19)20-12-18-13-21(25(31)27-23(18)14-22(20)26)17-5-3-4-15(10-17)11-24(29)30/h3-10,12-14H,11H2,1-2H3,(H,27,31)(H,29,30).
What are the key properties of 2-[3-[7-chloro-6-[4-(dimethylamino)phenyl]-2-oxo-1H-quinolin-3-yl]phenyl]acetic acid?
2-[3-[7-chloro-6-[4-(dimethylamino)phenyl]-2-oxo-1H-quinolin-3-yl]phenyl]acetic acid has a molecular weight of 432.91 g/mol, XLogP of 5.21, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[7-chloro-6-[4-(dimethylamino)phenyl]-2-oxo-1H-quinolin-3-yl]phenyl]acetic acid is sourced from PubChem (CID 162354369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).