N-[(S)-(4-chlorophenyl)-(8-hydroxyquinolin-7-yl)methyl]acetamide

C18H15ClN2O2 — CID 711204

IUPACN-[(S)-(4-chlorophenyl)-(8-hydroxyquinolin-7-yl)methyl]acetamide
SMILESCC(=O)N[C@@H](c1ccc(Cl)cc1)c1ccc2cccnc2c1O
InChIInChI=1S/C18H15ClN2O2/c1-11(22)21-16(13-4-7-14(19)8-5-13)15-9-6-12-3-2-10-20-17(12)18(15)23/h2-10,16,23H,1H3,(H,21,22)/t16-/m0/s1
InChIKeyIXRHAWQJTWGCCU-INIZCTEOSA-N
MW326.78 g/mol
LogP3.82
Rot. Bonds3

About N-[(S)-(4-chlorophenyl)-(8-hydroxyquinolin-7-yl)methyl]acetamide

N-[(S)-(4-chlorophenyl)-(8-hydroxyquinolin-7-yl)methyl]acetamide (PubChem CID 711204) has the molecular formula C18H15ClN2O2 and a molecular weight of 326.78 g/mol. Its IUPAC name is N-[(S)-(4-chlorophenyl)-(8-hydroxyquinolin-7-yl)methyl]acetamide.

Molecular Properties

Compound NameN-[(S)-(4-chlorophenyl)-(8-hydroxyquinolin-7-yl)methyl]acetamide
PubChem CID711204
Molecular FormulaC18H15ClN2O2
Molecular Weight326.78 g/mol
Exact Mass326.08
IUPAC NameN-[(S)-(4-chlorophenyl)-(8-hydroxyquinolin-7-yl)methyl]acetamide
SMILESCC(=O)N[C@@H](c1ccc(Cl)cc1)c1ccc2cccnc2c1O
InChIInChI=1S/C18H15ClN2O2/c1-11(22)21-16(13-4-7-14(19)8-5-13)15-9-6-12-3-2-10-20-17(12)18(15)23/h2-10,16,23H,1H3,(H,21,22)/t16-/m0/s1
InChIKeyIXRHAWQJTWGCCU-INIZCTEOSA-N
XLogP3.82
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.78
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-fluorophenyl)-(8-hydroxyquinolin-7-yl)methyl]acetamide
CID 2872181
7-[(4-chlorophenyl)-(methylamino)methyl]quinolin-8-ol
CID 146474872
4-chloro-N-[(8-hydroxyquinolin-7-yl)-phenylmethyl]benzamide
CID 146475092
N-[(5-chloro-8-hydroxyquinolin-7-yl)-(4-chlorophenyl)methyl]acetamide
CID 3136129
N-[(R)-(4-chlorophenyl)-(8-hydroxyquinolin-7-yl)methyl]cyclohexanecarboxamide
CID 1129407
N-[(4-chlorophenyl)-(8-hydroxyquinolin-7-yl)methyl]cyclohexanecarboxamide
CID 2920645
N-[(3,4-dimethoxyphenyl)-(8-hydroxyquinolin-7-yl)methyl]acetamide
CID 2872334
7-[(4-chlorophenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol
CID 2895250
N-[(R)-(2,4-dichlorophenyl)-(8-hydroxyquinolin-7-yl)methyl]-2-methylpropanamide
CID 1129397
7-[(4-chloroanilino)-(4-fluorophenyl)methyl]quinolin-8-ol
CID 19232843
7-[(R)-(4-chlorophenyl)-(pyridin-1-ium-2-ylamino)methyl]quinolin-8-ol
CID 6980884
7-[(2,4-dichlorophenyl)-(methylamino)methyl]quinolin-8-ol
CID 146475110

Frequently Asked Questions

What is the IUPAC name of N-[(S)-(4-chlorophenyl)-(8-hydroxyquinolin-7-yl)methyl]acetamide?
The IUPAC name of N-[(S)-(4-chlorophenyl)-(8-hydroxyquinolin-7-yl)methyl]acetamide (CID 711204) is N-[(S)-(4-chlorophenyl)-(8-hydroxyquinolin-7-yl)methyl]acetamide.
What is the SMILES notation for N-[(S)-(4-chlorophenyl)-(8-hydroxyquinolin-7-yl)methyl]acetamide?
The canonical SMILES for N-[(S)-(4-chlorophenyl)-(8-hydroxyquinolin-7-yl)methyl]acetamide is CC(=O)N[C@@H](c1ccc(Cl)cc1)c1ccc2cccnc2c1O.
What is the InChIKey of N-[(S)-(4-chlorophenyl)-(8-hydroxyquinolin-7-yl)methyl]acetamide?
The InChIKey is IXRHAWQJTWGCCU-INIZCTEOSA-N. The full InChI is InChI=1S/C18H15ClN2O2/c1-11(22)21-16(13-4-7-14(19)8-5-13)15-9-6-12-3-2-10-20-17(12)18(15)23/h2-10,16,23H,1H3,(H,21,22)/t16-/m0/s1.
What are the key properties of N-[(S)-(4-chlorophenyl)-(8-hydroxyquinolin-7-yl)methyl]acetamide?
N-[(S)-(4-chlorophenyl)-(8-hydroxyquinolin-7-yl)methyl]acetamide has a molecular weight of 326.78 g/mol, XLogP of 3.82, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(S)-(4-chlorophenyl)-(8-hydroxyquinolin-7-yl)methyl]acetamide is sourced from PubChem (CID 711204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).