2-[7-[(2,3-dichlorophenyl)-(pyridin-2-ylamino)methyl]-8-hydroxyquinolin-5-yl]acetic acid

C23H17Cl2N3O3 — CID 174321396

IUPAC2-[7-[(2,3-dichlorophenyl)-(pyridin-2-ylamino)methyl]-8-hydroxyquinolin-5-yl]acetic acid
SMILESO=C(O)Cc1cc(C(Nc2ccccn2)c2cccc(Cl)c2Cl)c(O)c2ncccc12
InChIInChI=1S/C23H17Cl2N3O3/c24-17-7-3-5-15(20(17)25)21(28-18-8-1-2-9-26-18)16-11-13(12-19(29)30)14-6-4-10-27-22(14)23(16)31/h1-11,21,31H,12H2,(H,26,28)(H,29,30)
InChIKeyTXNYWKMPRYTRSQ-UHFFFAOYSA-N
MW454.31 g/mol
LogP5.47
Rot. Bonds6

About 2-[7-[(2,3-dichlorophenyl)-(pyridin-2-ylamino)methyl]-8-hydroxyquinolin-5-yl]acetic acid

2-[7-[(2,3-dichlorophenyl)-(pyridin-2-ylamino)methyl]-8-hydroxyquinolin-5-yl]acetic acid (PubChem CID 174321396) has the molecular formula C23H17Cl2N3O3 and a molecular weight of 454.31 g/mol. Its IUPAC name is 2-[7-[(2,3-dichlorophenyl)-(pyridin-2-ylamino)methyl]-8-hydroxyquinolin-5-yl]acetic acid.

Molecular Properties

Compound Name2-[7-[(2,3-dichlorophenyl)-(pyridin-2-ylamino)methyl]-8-hydroxyquinolin-5-yl]acetic acid
PubChem CID174321396
Molecular FormulaC23H17Cl2N3O3
Molecular Weight454.31 g/mol
Exact Mass453.06
IUPAC Name2-[7-[(2,3-dichlorophenyl)-(pyridin-2-ylamino)methyl]-8-hydroxyquinolin-5-yl]acetic acid
SMILESO=C(O)Cc1cc(C(Nc2ccccn2)c2cccc(Cl)c2Cl)c(O)c2ncccc12
InChIInChI=1S/C23H17Cl2N3O3/c24-17-7-3-5-15(20(17)25)21(28-18-8-1-2-9-26-18)16-11-13(12-19(29)30)14-6-4-10-27-22(14)23(16)31/h1-11,21,31H,12H2,(H,26,28)(H,29,30)
InChIKeyTXNYWKMPRYTRSQ-UHFFFAOYSA-N
XLogP5.47
TPSA95.34 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.31
LogP ≤ 55.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

Analyze 2-[7-[(2,3-dichlorophenyl)-(pyridin-2-ylamino)methyl]-8-hydroxyquinolin-5-yl]acetic 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

5-chloro-7-[(2-methylphenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol
CID 45037803
5-chloro-7-[(2-fluorophenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol
CID 2961169
5-(2-azidoethyl)-7-[[(4-azido-2-pyridinyl)amino]-(2,3-dichlorophenyl)methyl]quinolin-8-ol
CID 175998755
5-methyl-7-[phenyl-(pyridin-2-ylamino)methyl]quinolin-8-ol
CID 147199836
5-chloro-7-[(S)-furan-2-yl-(pyridin-2-ylamino)methyl]quinolin-8-ol
CID 1301420
5-chloro-7-[(R)-(2,5-dimethylphenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol
CID 2221516
ethyl 4-[(5-chloro-8-hydroxyquinolin-7-yl)-(pyridin-2-ylamino)methyl]benzoate
CID 174319482
5-chloro-7-[(4-prop-2-enoxyphenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol
CID 2966049
2-chloro-N-[(5-chloro-8-hydroxyquinolin-7-yl)-(2-chlorophenyl)methyl]acetamide
CID 67171600
7-[(S)-(3-bromo-4-hydroxy-5-methoxyphenyl)-(pyridin-2-ylamino)methyl]-5-chloroquinolin-8-ol
CID 2221429
7-[(3-bromo-4-hydroxy-5-methoxyphenyl)-(pyridin-2-ylamino)methyl]-5-chloroquinolin-8-ol
CID 2966018
5-chloro-7-[(4-hydroxy-3-iodo-5-methoxyphenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol
CID 2966011

Frequently Asked Questions

What is the IUPAC name of 2-[7-[(2,3-dichlorophenyl)-(pyridin-2-ylamino)methyl]-8-hydroxyquinolin-5-yl]acetic acid?
The IUPAC name of 2-[7-[(2,3-dichlorophenyl)-(pyridin-2-ylamino)methyl]-8-hydroxyquinolin-5-yl]acetic acid (CID 174321396) is 2-[7-[(2,3-dichlorophenyl)-(pyridin-2-ylamino)methyl]-8-hydroxyquinolin-5-yl]acetic acid.
What is the SMILES notation for 2-[7-[(2,3-dichlorophenyl)-(pyridin-2-ylamino)methyl]-8-hydroxyquinolin-5-yl]acetic acid?
The canonical SMILES for 2-[7-[(2,3-dichlorophenyl)-(pyridin-2-ylamino)methyl]-8-hydroxyquinolin-5-yl]acetic acid is O=C(O)Cc1cc(C(Nc2ccccn2)c2cccc(Cl)c2Cl)c(O)c2ncccc12.
What is the InChIKey of 2-[7-[(2,3-dichlorophenyl)-(pyridin-2-ylamino)methyl]-8-hydroxyquinolin-5-yl]acetic acid?
The InChIKey is TXNYWKMPRYTRSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17Cl2N3O3/c24-17-7-3-5-15(20(17)25)21(28-18-8-1-2-9-26-18)16-11-13(12-19(29)30)14-6-4-10-27-22(14)23(16)31/h1-11,21,31H,12H2,(H,26,28)(H,29,30).
What are the key properties of 2-[7-[(2,3-dichlorophenyl)-(pyridin-2-ylamino)methyl]-8-hydroxyquinolin-5-yl]acetic acid?
2-[7-[(2,3-dichlorophenyl)-(pyridin-2-ylamino)methyl]-8-hydroxyquinolin-5-yl]acetic acid has a molecular weight of 454.31 g/mol, XLogP of 5.47, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-[(2,3-dichlorophenyl)-(pyridin-2-ylamino)methyl]-8-hydroxyquinolin-5-yl]acetic acid is sourced from PubChem (CID 174321396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).