2-amino-3-[4-[(7-chloroquinolin-4-yl)amino]phenyl]propanoic acid

C18H16ClN3O2 — CID 67359465

IUPAC2-amino-3-[4-[(7-chloroquinolin-4-yl)amino]phenyl]propanoic acid
SMILESNC(Cc1ccc(Nc2ccnc3cc(Cl)ccc23)cc1)C(=O)O
InChIInChI=1S/C18H16ClN3O2/c19-12-3-6-14-16(7-8-21-17(14)10-12)22-13-4-1-11(2-5-13)9-15(20)18(23)24/h1-8,10,15H,9,20H2,(H,21,22)(H,23,24)
InChIKeyKKEYWXQYKGCCJH-UHFFFAOYSA-N
MW341.80 g/mol
LogP3.59
Rot. Bonds5

About 2-amino-3-[4-[(7-chloroquinolin-4-yl)amino]phenyl]propanoic acid

2-amino-3-[4-[(7-chloroquinolin-4-yl)amino]phenyl]propanoic acid (PubChem CID 67359465) has the molecular formula C18H16ClN3O2 and a molecular weight of 341.80 g/mol. Its IUPAC name is 2-amino-3-[4-[(7-chloroquinolin-4-yl)amino]phenyl]propanoic acid.

Molecular Properties

Compound Name2-amino-3-[4-[(7-chloroquinolin-4-yl)amino]phenyl]propanoic acid
PubChem CID67359465
Molecular FormulaC18H16ClN3O2
Molecular Weight341.80 g/mol
Exact Mass341.09
IUPAC Name2-amino-3-[4-[(7-chloroquinolin-4-yl)amino]phenyl]propanoic acid
SMILESNC(Cc1ccc(Nc2ccnc3cc(Cl)ccc23)cc1)C(=O)O
InChIInChI=1S/C18H16ClN3O2/c19-12-3-6-14-16(7-8-21-17(14)10-12)22-13-4-1-11(2-5-13)9-15(20)18(23)24/h1-8,10,15H,9,20H2,(H,21,22)(H,23,24)
InChIKeyKKEYWXQYKGCCJH-UHFFFAOYSA-N
XLogP3.59
TPSA88.24 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.80
LogP ≤ 53.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-amino-3-[4-[(7-chloroquinolin-4-yl)amino]phenyl]propanoic 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

4-[4-[(7-chloroquinolin-4-yl)amino]phenyl]benzoic acid
CID 24757093
acetyl fluoride;7-chloro-N-(4-fluorophenyl)quinolin-4-amine
CID 144507995
2,3-dihydroxypropyl 4-[(7-chloroquinolin-4-yl)amino]benzoate
CID 13019126
2-(diethylamino)ethyl 4-[(7-chloroquinolin-4-yl)amino]benzoate
CID 54005492
7-chloro-N-[4-(trifluoromethyl)phenyl]quinolin-4-amine;hydrochloride
CID 171931176
7-chloro-N-(4-methoxyphenyl)quinolin-4-amine;ethane
CID 153341767
(2S)-2-amino-3-[4-[(4-chlorophenyl)carbamoylamino]phenyl]propanoic acid
CID 130323263
N'-[[4-[(7-chloroquinolin-4-yl)amino]phenyl]methyl]-3-iminopropanimidamide
CID 123513143
1-[4-[(7-chloroquinolin-4-yl)amino]phenyl]sulfonyl-3-phenylurea
CID 71530749
3-[(7-chloroquinolin-4-yl)amino]-2,2-dimethylpropanoic acid
CID 113307879
N-(4-chlorophenyl)-7-fluoroquinolin-4-amine
CID 71468200
2-[[(7-chloroquinolin-4-yl)amino]methyl]butanoic acid
CID 65223950

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[4-[(7-chloroquinolin-4-yl)amino]phenyl]propanoic acid?
The IUPAC name of 2-amino-3-[4-[(7-chloroquinolin-4-yl)amino]phenyl]propanoic acid (CID 67359465) is 2-amino-3-[4-[(7-chloroquinolin-4-yl)amino]phenyl]propanoic acid.
What is the SMILES notation for 2-amino-3-[4-[(7-chloroquinolin-4-yl)amino]phenyl]propanoic acid?
The canonical SMILES for 2-amino-3-[4-[(7-chloroquinolin-4-yl)amino]phenyl]propanoic acid is NC(Cc1ccc(Nc2ccnc3cc(Cl)ccc23)cc1)C(=O)O.
What is the InChIKey of 2-amino-3-[4-[(7-chloroquinolin-4-yl)amino]phenyl]propanoic acid?
The InChIKey is KKEYWXQYKGCCJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O2/c19-12-3-6-14-16(7-8-21-17(14)10-12)22-13-4-1-11(2-5-13)9-15(20)18(23)24/h1-8,10,15H,9,20H2,(H,21,22)(H,23,24).
What are the key properties of 2-amino-3-[4-[(7-chloroquinolin-4-yl)amino]phenyl]propanoic acid?
2-amino-3-[4-[(7-chloroquinolin-4-yl)amino]phenyl]propanoic acid has a molecular weight of 341.80 g/mol, XLogP of 3.59, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[4-[(7-chloroquinolin-4-yl)amino]phenyl]propanoic acid is sourced from PubChem (CID 67359465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).