2-[[2-(3-chloroquinolin-6-yl)acetyl]amino]-2-pyridin-2-ylacetic acid

C18H14ClN3O3 — CID 140929553

IUPAC2-[[2-(3-chloroquinolin-6-yl)acetyl]amino]-2-pyridin-2-ylacetic acid
SMILESO=C(Cc1ccc2ncc(Cl)cc2c1)NC(C(=O)O)c1ccccn1
InChIInChI=1S/C18H14ClN3O3/c19-13-9-12-7-11(4-5-14(12)21-10-13)8-16(23)22-17(18(24)25)15-3-1-2-6-20-15/h1-7,9-10,17H,8H2,(H,22,23)(H,24,25)
InChIKeyFGEJSRBHDGWDGJ-UHFFFAOYSA-N
MW355.78 g/mol
LogP2.77
Rot. Bonds5

About 2-[[2-(3-chloroquinolin-6-yl)acetyl]amino]-2-pyridin-2-ylacetic acid

2-[[2-(3-chloroquinolin-6-yl)acetyl]amino]-2-pyridin-2-ylacetic acid (PubChem CID 140929553) has the molecular formula C18H14ClN3O3 and a molecular weight of 355.78 g/mol. Its IUPAC name is 2-[[2-(3-chloroquinolin-6-yl)acetyl]amino]-2-pyridin-2-ylacetic acid.

Molecular Properties

Compound Name2-[[2-(3-chloroquinolin-6-yl)acetyl]amino]-2-pyridin-2-ylacetic acid
PubChem CID140929553
Molecular FormulaC18H14ClN3O3
Molecular Weight355.78 g/mol
Exact Mass355.07
IUPAC Name2-[[2-(3-chloroquinolin-6-yl)acetyl]amino]-2-pyridin-2-ylacetic acid
SMILESO=C(Cc1ccc2ncc(Cl)cc2c1)NC(C(=O)O)c1ccccn1
InChIInChI=1S/C18H14ClN3O3/c19-13-9-12-7-11(4-5-14(12)21-10-13)8-16(23)22-17(18(24)25)15-3-1-2-6-20-15/h1-7,9-10,17H,8H2,(H,22,23)(H,24,25)
InChIKeyFGEJSRBHDGWDGJ-UHFFFAOYSA-N
XLogP2.77
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.78
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[[2-(3-chloroquinolin-6-yl)acetyl]amino]-2-pyridin-2-ylacetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-chloroquinolin-6-yl)acetohydrazide
CID 134178519
2-naphthalen-2-yl-N-[phenyl(pyridin-2-yl)methyl]acetamide
CID 42999680
2-(3,4-dichlorophenyl)-N-(1-pyridin-2-ylethyl)acetamide
CID 47097455
3-amino-1-[(3-chloroquinolin-6-yl)methyl]pyrazole-4-carboxylic acid
CID 134177987
(2S,3R)-4,4,4-trifluoro-2-hydroxy-3-[(2-quinolin-6-ylacetyl)amino]butanoic acid
CID 166307660
ethane;ethyl 2-[2-[2-(3-chloroquinolin-6-yl)acetyl]hydrazinyl]-2-oxoacetate
CID 145441118
2-(4-methoxyphenyl)-N-[phenyl(pyridin-2-yl)methyl]acetamide
CID 42907688
1-[(3-chloroquinolin-6-yl)methyl]indazole-3-carboxylic acid;methanol
CID 145441066
2-(2,4-dichloro-6-methyl-3-pyridinyl)-N-[phenyl(pyridin-2-yl)methyl]acetamide
CID 24509475
5-[(3-chloroquinolin-6-yl)methyl]-1H-1,2,4-triazole-3-carboxylic acid;hydrochloride
CID 135354526
2-(4-methylphenyl)-N-[(1R)-1-pyridin-2-ylethyl]acetamide
CID 25337547
N-[(4-chloro-2-methylphenyl)-phenylmethyl]-2-[2-(2-methyl-3-pyridinyl)quinolin-6-yl]acetamide
CID 71247503

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3-chloroquinolin-6-yl)acetyl]amino]-2-pyridin-2-ylacetic acid?
The IUPAC name of 2-[[2-(3-chloroquinolin-6-yl)acetyl]amino]-2-pyridin-2-ylacetic acid (CID 140929553) is 2-[[2-(3-chloroquinolin-6-yl)acetyl]amino]-2-pyridin-2-ylacetic acid.
What is the SMILES notation for 2-[[2-(3-chloroquinolin-6-yl)acetyl]amino]-2-pyridin-2-ylacetic acid?
The canonical SMILES for 2-[[2-(3-chloroquinolin-6-yl)acetyl]amino]-2-pyridin-2-ylacetic acid is O=C(Cc1ccc2ncc(Cl)cc2c1)NC(C(=O)O)c1ccccn1.
What is the InChIKey of 2-[[2-(3-chloroquinolin-6-yl)acetyl]amino]-2-pyridin-2-ylacetic acid?
The InChIKey is FGEJSRBHDGWDGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClN3O3/c19-13-9-12-7-11(4-5-14(12)21-10-13)8-16(23)22-17(18(24)25)15-3-1-2-6-20-15/h1-7,9-10,17H,8H2,(H,22,23)(H,24,25).
What are the key properties of 2-[[2-(3-chloroquinolin-6-yl)acetyl]amino]-2-pyridin-2-ylacetic acid?
2-[[2-(3-chloroquinolin-6-yl)acetyl]amino]-2-pyridin-2-ylacetic acid has a molecular weight of 355.78 g/mol, XLogP of 2.77, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3-chloroquinolin-6-yl)acetyl]amino]-2-pyridin-2-ylacetic acid is sourced from PubChem (CID 140929553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).