7-[(4-chlorophenyl)-[(5-methyl-1,2-oxazol-3-yl)amino]methyl]quinolin-8-ol

C20H16ClN3O2 — CID 3361499

IUPAC7-[(4-chlorophenyl)-[(5-methyl-1,2-oxazol-3-yl)amino]methyl]quinolin-8-ol
SMILESCc1cc(NC(c2ccc(Cl)cc2)c2ccc3cccnc3c2O)no1
InChIInChI=1S/C20H16ClN3O2/c1-12-11-17(24-26-12)23-18(14-4-7-15(21)8-5-14)16-9-6-13-3-2-10-22-19(13)20(16)25/h2-11,18,25H,1H3,(H,23,24)
InChIKeyKHODOHYLNGOJEK-UHFFFAOYSA-N
MW365.82 g/mol
LogP5.09
Rot. Bonds4

About 7-[(4-chlorophenyl)-[(5-methyl-1,2-oxazol-3-yl)amino]methyl]quinolin-8-ol

7-[(4-chlorophenyl)-[(5-methyl-1,2-oxazol-3-yl)amino]methyl]quinolin-8-ol (PubChem CID 3361499) has the molecular formula C20H16ClN3O2 and a molecular weight of 365.82 g/mol. Its IUPAC name is 7-[(4-chlorophenyl)-[(5-methyl-1,2-oxazol-3-yl)amino]methyl]quinolin-8-ol.

Molecular Properties

Compound Name7-[(4-chlorophenyl)-[(5-methyl-1,2-oxazol-3-yl)amino]methyl]quinolin-8-ol
PubChem CID3361499
Molecular FormulaC20H16ClN3O2
Molecular Weight365.82 g/mol
Exact Mass365.09
IUPAC Name7-[(4-chlorophenyl)-[(5-methyl-1,2-oxazol-3-yl)amino]methyl]quinolin-8-ol
SMILESCc1cc(NC(c2ccc(Cl)cc2)c2ccc3cccnc3c2O)no1
InChIInChI=1S/C20H16ClN3O2/c1-12-11-17(24-26-12)23-18(14-4-7-15(21)8-5-14)16-9-6-13-3-2-10-22-19(13)20(16)25/h2-11,18,25H,1H3,(H,23,24)
InChIKeyKHODOHYLNGOJEK-UHFFFAOYSA-N
XLogP5.09
TPSA71.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.82
LogP ≤ 55.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 7-[(4-chlorophenyl)-[(5-methyl-1,2-oxazol-3-yl)amino]methyl]quinolin-8-ol with MolForge

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Related Compounds

GNF-Pf-3257
CID 2876611
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
N-[(4-chlorophenyl)(8-hydroxy-7-quinolinyl)methyl]-2-methylpropanamide
CID 2876739
N-[(4-chlorophenyl)(8-hydroxyquinolin-7-yl)methyl]pentanamide
CID 3129251
Adaptaquin
CID 3740671
7-{(2,4-Dichlorophenyl)[(4-methylpyridin-2-yl)amino]methyl}quinolin-8-ol
CID 2895120
7-[(4-Chlorophenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol
CID 2895250
7-[(3-Bromophenyl)[(5-methyl-1,2-oxazol-3-yl)amino]methyl]quinolin-8-ol
CID 4583594
7-[(2-Chlorophenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol
CID 4986404
7-{(4-Chlorophenyl)[(6-methyl-2-pyridinyl)amino]methyl}-8-quinolinol
CID 2895662
7-{(4-Chloro-3-nitrophenyl)[(4-methylpyridin-2-yl)amino]methyl}quinolin-8-ol
CID 2906963

Frequently Asked Questions

What is the IUPAC name of 7-[(4-chlorophenyl)-[(5-methyl-1,2-oxazol-3-yl)amino]methyl]quinolin-8-ol?
The IUPAC name of 7-[(4-chlorophenyl)-[(5-methyl-1,2-oxazol-3-yl)amino]methyl]quinolin-8-ol (CID 3361499) is 7-[(4-chlorophenyl)-[(5-methyl-1,2-oxazol-3-yl)amino]methyl]quinolin-8-ol.
What is the SMILES notation for 7-[(4-chlorophenyl)-[(5-methyl-1,2-oxazol-3-yl)amino]methyl]quinolin-8-ol?
The canonical SMILES for 7-[(4-chlorophenyl)-[(5-methyl-1,2-oxazol-3-yl)amino]methyl]quinolin-8-ol is Cc1cc(NC(c2ccc(Cl)cc2)c2ccc3cccnc3c2O)no1.
What is the InChIKey of 7-[(4-chlorophenyl)-[(5-methyl-1,2-oxazol-3-yl)amino]methyl]quinolin-8-ol?
The InChIKey is KHODOHYLNGOJEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClN3O2/c1-12-11-17(24-26-12)23-18(14-4-7-15(21)8-5-14)16-9-6-13-3-2-10-22-19(13)20(16)25/h2-11,18,25H,1H3,(H,23,24).
What are the key properties of 7-[(4-chlorophenyl)-[(5-methyl-1,2-oxazol-3-yl)amino]methyl]quinolin-8-ol?
7-[(4-chlorophenyl)-[(5-methyl-1,2-oxazol-3-yl)amino]methyl]quinolin-8-ol has a molecular weight of 365.82 g/mol, XLogP of 5.09, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(4-chlorophenyl)-[(5-methyl-1,2-oxazol-3-yl)amino]methyl]quinolin-8-ol is sourced from PubChem (CID 3361499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).