7-[(4-chlorophenyl)-[(3-hydroxy-2-pyridinyl)amino]methyl]quinolin-8-ol

C21H16ClN3O2 — CID 3740671

IUPAC7-[(4-chlorophenyl)-[(3-hydroxy-2-pyridinyl)amino]methyl]quinolin-8-ol
SMILESOc1cccnc1NC(c1ccc(Cl)cc1)c1ccc2cccnc2c1O
InChIInChI=1S/C21H16ClN3O2/c22-15-8-5-14(6-9-15)18(25-21-17(26)4-2-12-24-21)16-10-7-13-3-1-11-23-19(13)20(16)27/h1-12,18,26-27H,(H,24,25)
InChIKeyKKYHNYRUBSYTCZ-UHFFFAOYSA-N
MW377.83 g/mol
LogP4.90
Rot. Bonds4

About 7-[(4-chlorophenyl)-[(3-hydroxy-2-pyridinyl)amino]methyl]quinolin-8-ol

7-[(4-chlorophenyl)-[(3-hydroxy-2-pyridinyl)amino]methyl]quinolin-8-ol (PubChem CID 3740671) has the molecular formula C21H16ClN3O2 and a molecular weight of 377.83 g/mol. Its IUPAC name is 7-[(4-chlorophenyl)-[(3-hydroxy-2-pyridinyl)amino]methyl]quinolin-8-ol.

Molecular Properties

Compound Name7-[(4-chlorophenyl)-[(3-hydroxy-2-pyridinyl)amino]methyl]quinolin-8-ol
PubChem CID3740671
Molecular FormulaC21H16ClN3O2
Molecular Weight377.83 g/mol
Exact Mass377.09
IUPAC Name7-[(4-chlorophenyl)-[(3-hydroxy-2-pyridinyl)amino]methyl]quinolin-8-ol
SMILESOc1cccnc1NC(c1ccc(Cl)cc1)c1ccc2cccnc2c1O
InChIInChI=1S/C21H16ClN3O2/c22-15-8-5-14(6-9-15)18(25-21-17(26)4-2-12-24-21)16-10-7-13-3-1-11-23-19(13)20(16)27/h1-12,18,26-27H,(H,24,25)
InChIKeyKKYHNYRUBSYTCZ-UHFFFAOYSA-N
XLogP4.90
TPSA78.27 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.83
LogP ≤ 54.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 7-[(4-chlorophenyl)-[(3-hydroxy-2-pyridinyl)amino]methyl]quinolin-8-ol with MolForge

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Related Compounds

GNF-Pf-3257
CID 2876611
Mls1547
CID 1093278
N-[(2,4-Dichloro-phenyl)-(8-hydroxy-quinolin-7-yl)-methyl]-acetamide
CID 3136121
7-{(3-Chlorophenyl)[(6-methylpyridin-2-yl)amino]methyl}quinolin-8-ol
CID 2895830
N-[(4-Chloro-phenyl)-(8-hydroxy-quinolin-7-yl)-methyl]-acetamide
CID 2871851
2-(Pyridin-2-ylamino)quinolin-8-ol
CID 1380879
7-[(3-Phenoxyphenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol
CID 2923731
7-[(4-Chlorophenyl)-[(5-methyl-1,2-oxazol-3-yl)amino]methyl]quinolin-8-ol
CID 3361499
7-((2-Fluorophenyl)(4-methylpyridin-2-ylamino)methyl)quinolin-8-ol
CID 3478212
2-Methyl-7-[pyridin-3-yl-(pyridin-2-ylamino)methyl]quinolin-8-ol
CID 3651915
2-Methyl-7-[phenyl-(pyridin-2-ylamino)methyl]quinolin-8-ol
CID 4999481
7-[(3,4-Dimethoxyphenyl)(pyridin-2-ylamino)methyl]-2-methylquinolin-8-ol
CID 2907152

Frequently Asked Questions

What is the IUPAC name of 7-[(4-chlorophenyl)-[(3-hydroxy-2-pyridinyl)amino]methyl]quinolin-8-ol?
The IUPAC name of 7-[(4-chlorophenyl)-[(3-hydroxy-2-pyridinyl)amino]methyl]quinolin-8-ol (CID 3740671) is 7-[(4-chlorophenyl)-[(3-hydroxy-2-pyridinyl)amino]methyl]quinolin-8-ol.
What is the SMILES notation for 7-[(4-chlorophenyl)-[(3-hydroxy-2-pyridinyl)amino]methyl]quinolin-8-ol?
The canonical SMILES for 7-[(4-chlorophenyl)-[(3-hydroxy-2-pyridinyl)amino]methyl]quinolin-8-ol is Oc1cccnc1NC(c1ccc(Cl)cc1)c1ccc2cccnc2c1O.
What is the InChIKey of 7-[(4-chlorophenyl)-[(3-hydroxy-2-pyridinyl)amino]methyl]quinolin-8-ol?
The InChIKey is KKYHNYRUBSYTCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16ClN3O2/c22-15-8-5-14(6-9-15)18(25-21-17(26)4-2-12-24-21)16-10-7-13-3-1-11-23-19(13)20(16)27/h1-12,18,26-27H,(H,24,25).
What are the key properties of 7-[(4-chlorophenyl)-[(3-hydroxy-2-pyridinyl)amino]methyl]quinolin-8-ol?
7-[(4-chlorophenyl)-[(3-hydroxy-2-pyridinyl)amino]methyl]quinolin-8-ol has a molecular weight of 377.83 g/mol, XLogP of 4.90, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(4-chlorophenyl)-[(3-hydroxy-2-pyridinyl)amino]methyl]quinolin-8-ol is sourced from PubChem (CID 3740671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).