2-[4-[(6-methyl-2-pyridin-3-ylquinoline-4-carbonyl)amino]phenyl]acetic acid

C24H19N3O3 — CID 1261301

IUPAC2-[4-[(6-methyl-2-pyridin-3-ylquinoline-4-carbonyl)amino]phenyl]acetic acid
SMILESCc1ccc2nc(-c3cccnc3)cc(C(=O)Nc3ccc(CC(=O)O)cc3)c2c1
InChIInChI=1S/C24H19N3O3/c1-15-4-9-21-19(11-15)20(13-22(27-21)17-3-2-10-25-14-17)24(30)26-18-7-5-16(6-8-18)12-23(28)29/h2-11,13-14H,12H2,1H3,(H,26,30)(H,28,29)
InChIKeyJMDLTRVLXWKQBE-UHFFFAOYSA-N
MW397.43 g/mol
LogP4.48
Rot. Bonds5

About 2-[4-[(6-methyl-2-pyridin-3-ylquinoline-4-carbonyl)amino]phenyl]acetic acid

2-[4-[(6-methyl-2-pyridin-3-ylquinoline-4-carbonyl)amino]phenyl]acetic acid (PubChem CID 1261301) has the molecular formula C24H19N3O3 and a molecular weight of 397.43 g/mol. Its IUPAC name is 2-[4-[(6-methyl-2-pyridin-3-ylquinoline-4-carbonyl)amino]phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-[(6-methyl-2-pyridin-3-ylquinoline-4-carbonyl)amino]phenyl]acetic acid
PubChem CID1261301
Molecular FormulaC24H19N3O3
Molecular Weight397.43 g/mol
Exact Mass397.14
IUPAC Name2-[4-[(6-methyl-2-pyridin-3-ylquinoline-4-carbonyl)amino]phenyl]acetic acid
SMILESCc1ccc2nc(-c3cccnc3)cc(C(=O)Nc3ccc(CC(=O)O)cc3)c2c1
InChIInChI=1S/C24H19N3O3/c1-15-4-9-21-19(11-15)20(13-22(27-21)17-3-2-10-25-14-17)24(30)26-18-7-5-16(6-8-18)12-23(28)29/h2-11,13-14H,12H2,1H3,(H,26,30)(H,28,29)
InChIKeyJMDLTRVLXWKQBE-UHFFFAOYSA-N
XLogP4.48
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.43
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(5,6-Dihydro-5,5-dimethyl-8-(quinolin-3-yl)naphthalen-2-carboxamido)benzoic acid
CID 445091
((2R,4S)-2-Benzyl-4-((quinolin-4-ylmethyl)amino)piperidin-1-yl)(3,5-dimethylphenyl)methanone
CID 9869033
Cinchoninic acid, 2-(3-pyridyl)-
CID 24067
2-(Pyridin-4-yl)quinoline-4-carboxylic acid
CID 26587
2-[(2,6-Dichlorophenyl)formamido]-3-[2-(pyridin-4-yl)quinolin-6-yl]propanoic acid
CID 10389798
2-{4-[({3-[3-Benzyl-8-(trifluoromethyl)quinolin-4-yl]phenyl}methyl)amino]phenyl}acetic acid
CID 16090331
[4-({[3-(3-Benzyl-8-Methylquinolin-4-yl)Phenyl]Amino}Methyl)Phenyl]Acetic Acid
CID 16739344
2-{4-[({3-[3-Methyl-8-(trifluoromethyl)quinolin-4-yl]phenyl}amino)methyl]phenyl}acetic acid
CID 23648467
2-[4-({[3-(3-Benzoyl-8-methylquinolin-4-yl)phenyl]amino}methyl)phenyl]acetic acid
CID 23648472
2-[4-({[3-(3-Benzoylquinolin-4-yl)phenyl]amino}methyl)phenyl]acetic acid
CID 23648474
N,N-diethyl-4-(1-piperazinyl(8-quinolinyl)methyl)benzamide
CID 9801260
3-(6-(2-(methylsulfonyl)propan-2-yl)quinolin-8-yl)-N-(pyridin-4-yl)benzamide
CID 21865580

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(6-methyl-2-pyridin-3-ylquinoline-4-carbonyl)amino]phenyl]acetic acid?
The IUPAC name of 2-[4-[(6-methyl-2-pyridin-3-ylquinoline-4-carbonyl)amino]phenyl]acetic acid (CID 1261301) is 2-[4-[(6-methyl-2-pyridin-3-ylquinoline-4-carbonyl)amino]phenyl]acetic acid.
What is the SMILES notation for 2-[4-[(6-methyl-2-pyridin-3-ylquinoline-4-carbonyl)amino]phenyl]acetic acid?
The canonical SMILES for 2-[4-[(6-methyl-2-pyridin-3-ylquinoline-4-carbonyl)amino]phenyl]acetic acid is Cc1ccc2nc(-c3cccnc3)cc(C(=O)Nc3ccc(CC(=O)O)cc3)c2c1.
What is the InChIKey of 2-[4-[(6-methyl-2-pyridin-3-ylquinoline-4-carbonyl)amino]phenyl]acetic acid?
The InChIKey is JMDLTRVLXWKQBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N3O3/c1-15-4-9-21-19(11-15)20(13-22(27-21)17-3-2-10-25-14-17)24(30)26-18-7-5-16(6-8-18)12-23(28)29/h2-11,13-14H,12H2,1H3,(H,26,30)(H,28,29).
What are the key properties of 2-[4-[(6-methyl-2-pyridin-3-ylquinoline-4-carbonyl)amino]phenyl]acetic acid?
2-[4-[(6-methyl-2-pyridin-3-ylquinoline-4-carbonyl)amino]phenyl]acetic acid has a molecular weight of 397.43 g/mol, XLogP of 4.48, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(6-methyl-2-pyridin-3-ylquinoline-4-carbonyl)amino]phenyl]acetic acid is sourced from PubChem (CID 1261301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).