7-[(4-chloro-3-nitrophenyl)-[(4-methyl-2-pyridinyl)amino]methyl]quinolin-8-ol

C22H17ClN4O3 — CID 2906963

IUPAC7-[(4-chloro-3-nitrophenyl)-[(4-methyl-2-pyridinyl)amino]methyl]quinolin-8-ol
SMILESCc1ccnc(NC(c2ccc(Cl)c([N+](=O)[O-])c2)c2ccc3cccnc3c2O)c1
InChIInChI=1S/C22H17ClN4O3/c1-13-8-10-24-19(11-13)26-20(15-5-7-17(23)18(12-15)27(29)30)16-6-4-14-3-2-9-25-21(14)22(16)28/h2-12,20,28H,1H3,(H,24,26)
InChIKeyCALYGCWCEXJTET-UHFFFAOYSA-N
MW420.86 g/mol
LogP5.41
Rot. Bonds5

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

7-[(4-chloro-3-nitrophenyl)-[(4-methyl-2-pyridinyl)amino]methyl]quinolin-8-ol (PubChem CID 2906963) has the molecular formula C22H17ClN4O3 and a molecular weight of 420.86 g/mol. Its IUPAC name is 7-[(4-chloro-3-nitrophenyl)-[(4-methyl-2-pyridinyl)amino]methyl]quinolin-8-ol.

Molecular Properties

Compound Name7-[(4-chloro-3-nitrophenyl)-[(4-methyl-2-pyridinyl)amino]methyl]quinolin-8-ol
PubChem CID2906963
Molecular FormulaC22H17ClN4O3
Molecular Weight420.86 g/mol
Exact Mass420.10
IUPAC Name7-[(4-chloro-3-nitrophenyl)-[(4-methyl-2-pyridinyl)amino]methyl]quinolin-8-ol
SMILESCc1ccnc(NC(c2ccc(Cl)c([N+](=O)[O-])c2)c2ccc3cccnc3c2O)c1
InChIInChI=1S/C22H17ClN4O3/c1-13-8-10-24-19(11-13)26-20(15-5-7-17(23)18(12-15)27(29)30)16-6-4-14-3-2-9-25-21(14)22(16)28/h2-12,20,28H,1H3,(H,24,26)
InChIKeyCALYGCWCEXJTET-UHFFFAOYSA-N
XLogP5.41
TPSA101.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.86
LogP ≤ 55.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 7-[(4-chloro-3-nitrophenyl)-[(4-methyl-2-pyridinyl)amino]methyl]quinolin-8-ol 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

Mls1547
CID 1093278
7-{(3-Chlorophenyl)[(6-methylpyridin-2-yl)amino]methyl}quinolin-8-ol
CID 2895830
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-[2-Pyridinyl(2-pyridinylamino)methyl]-8-quinolinol
CID 630034
8-Quinolinol, 7-(alpha-(3-methyl-2-pyridylamino)benzyl)-
CID 3056877
2-Methyl-7-[(2-methylphenyl)[(6-methylpyridin-2-YL)amino]methyl]quinolin-8-OL
CID 2940834
Adaptaquin
CID 3740671
7-[Mesityl(2-pyridinylamino)methyl]-8-quinolinol
CID 5198770
7-{Phenyl[(pyridin-2-yl)amino]methyl}quinolin-8-ol
CID 256756

Frequently Asked Questions

What is the IUPAC name of 7-[(4-chloro-3-nitrophenyl)-[(4-methyl-2-pyridinyl)amino]methyl]quinolin-8-ol?
The IUPAC name of 7-[(4-chloro-3-nitrophenyl)-[(4-methyl-2-pyridinyl)amino]methyl]quinolin-8-ol (CID 2906963) is 7-[(4-chloro-3-nitrophenyl)-[(4-methyl-2-pyridinyl)amino]methyl]quinolin-8-ol.
What is the SMILES notation for 7-[(4-chloro-3-nitrophenyl)-[(4-methyl-2-pyridinyl)amino]methyl]quinolin-8-ol?
The canonical SMILES for 7-[(4-chloro-3-nitrophenyl)-[(4-methyl-2-pyridinyl)amino]methyl]quinolin-8-ol is Cc1ccnc(NC(c2ccc(Cl)c([N+](=O)[O-])c2)c2ccc3cccnc3c2O)c1.
What is the InChIKey of 7-[(4-chloro-3-nitrophenyl)-[(4-methyl-2-pyridinyl)amino]methyl]quinolin-8-ol?
The InChIKey is CALYGCWCEXJTET-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClN4O3/c1-13-8-10-24-19(11-13)26-20(15-5-7-17(23)18(12-15)27(29)30)16-6-4-14-3-2-9-25-21(14)22(16)28/h2-12,20,28H,1H3,(H,24,26).
What are the key properties of 7-[(4-chloro-3-nitrophenyl)-[(4-methyl-2-pyridinyl)amino]methyl]quinolin-8-ol?
7-[(4-chloro-3-nitrophenyl)-[(4-methyl-2-pyridinyl)amino]methyl]quinolin-8-ol has a molecular weight of 420.86 g/mol, XLogP of 5.41, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(4-chloro-3-nitrophenyl)-[(4-methyl-2-pyridinyl)amino]methyl]quinolin-8-ol is sourced from PubChem (CID 2906963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).