N-[(2-chlorophenyl)-(8-hydroxyquinolin-7-yl)methyl]-2-phenylacetamide

C24H19ClN2O2 — CID 2876998

IUPACN-[(2-chlorophenyl)-(8-hydroxyquinolin-7-yl)methyl]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)NC(c1ccccc1Cl)c1ccc2cccnc2c1O
InChIInChI=1S/C24H19ClN2O2/c25-20-11-5-4-10-18(20)23(27-21(28)15-16-7-2-1-3-8-16)19-13-12-17-9-6-14-26-22(17)24(19)29/h1-14,23,29H,15H2,(H,27,28)
InChIKeyAPNYAIWPQZJKMP-UHFFFAOYSA-N
MW402.88 g/mol
LogP5.04
Rot. Bonds5

About N-[(2-chlorophenyl)-(8-hydroxyquinolin-7-yl)methyl]-2-phenylacetamide

N-[(2-chlorophenyl)-(8-hydroxyquinolin-7-yl)methyl]-2-phenylacetamide (PubChem CID 2876998) has the molecular formula C24H19ClN2O2 and a molecular weight of 402.88 g/mol. Its IUPAC name is N-[(2-chlorophenyl)-(8-hydroxyquinolin-7-yl)methyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)-(8-hydroxyquinolin-7-yl)methyl]-2-phenylacetamide
PubChem CID2876998
Molecular FormulaC24H19ClN2O2
Molecular Weight402.88 g/mol
Exact Mass402.11
IUPAC NameN-[(2-chlorophenyl)-(8-hydroxyquinolin-7-yl)methyl]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)NC(c1ccccc1Cl)c1ccc2cccnc2c1O
InChIInChI=1S/C24H19ClN2O2/c25-20-11-5-4-10-18(20)23(27-21(28)15-16-7-2-1-3-8-16)19-13-12-17-9-6-14-26-22(17)24(19)29/h1-14,23,29H,15H2,(H,27,28)
InChIKeyAPNYAIWPQZJKMP-UHFFFAOYSA-N
XLogP5.04
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.88
LogP ≤ 55.04
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-[(R)-(8-hydroxyquinolin-7-yl)-(4-methoxyphenyl)methyl]-2-phenylacetamide
CID 2225663
N-[(S)-(8-hydroxyquinolin-7-yl)-(4-methylphenyl)methyl]-3-phenylpropanamide
CID 1084506
N-[(R)-(2,4-dichlorophenyl)-(8-hydroxyquinolin-7-yl)methyl]-2-methylpropanamide
CID 1129397
N-[(R)-(8-hydroxyquinolin-7-yl)-thiophen-2-ylmethyl]-3-phenylpropanamide
CID 1084516
4-chloro-N-[(8-hydroxyquinolin-7-yl)-phenylmethyl]benzamide
CID 146475092
2-chloro-N-[(5-chloro-8-hydroxyquinolin-7-yl)-(2-chlorophenyl)methyl]acetamide
CID 67171600
N-[(R)-(8-hydroxyquinolin-7-yl)-(2-methoxyphenyl)methyl]butanamide
CID 6550405
N-[(5-chloro-8-hydroxyquinolin-7-yl)-phenylmethyl]-2-(4-phenoxyphenoxy)acetamide;N-[(8-hydroxyquinolin-7-yl)-phenylmethyl]-2-phenoxyacetamide
CID 159008930
N-[(2-chlorophenyl)-(8-hydroxy-5-methylquinolin-7-yl)methyl]-2-phenoxyacetamide
CID 24957416
N-[(S)-(4-chlorophenyl)-(8-hydroxyquinolin-7-yl)methyl]acetamide
CID 711204
N-[(S)-[4-(dimethylamino)phenyl]-(8-hydroxyquinolin-7-yl)methyl]propanamide
CID 7064517
N-[(S)-(8-hydroxyquinolin-7-yl)-naphthalen-2-ylmethyl]benzamide
CID 2173643

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)-(8-hydroxyquinolin-7-yl)methyl]-2-phenylacetamide?
The IUPAC name of N-[(2-chlorophenyl)-(8-hydroxyquinolin-7-yl)methyl]-2-phenylacetamide (CID 2876998) is N-[(2-chlorophenyl)-(8-hydroxyquinolin-7-yl)methyl]-2-phenylacetamide.
What is the SMILES notation for N-[(2-chlorophenyl)-(8-hydroxyquinolin-7-yl)methyl]-2-phenylacetamide?
The canonical SMILES for N-[(2-chlorophenyl)-(8-hydroxyquinolin-7-yl)methyl]-2-phenylacetamide is O=C(Cc1ccccc1)NC(c1ccccc1Cl)c1ccc2cccnc2c1O.
What is the InChIKey of N-[(2-chlorophenyl)-(8-hydroxyquinolin-7-yl)methyl]-2-phenylacetamide?
The InChIKey is APNYAIWPQZJKMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19ClN2O2/c25-20-11-5-4-10-18(20)23(27-21(28)15-16-7-2-1-3-8-16)19-13-12-17-9-6-14-26-22(17)24(19)29/h1-14,23,29H,15H2,(H,27,28).
What are the key properties of N-[(2-chlorophenyl)-(8-hydroxyquinolin-7-yl)methyl]-2-phenylacetamide?
N-[(2-chlorophenyl)-(8-hydroxyquinolin-7-yl)methyl]-2-phenylacetamide has a molecular weight of 402.88 g/mol, XLogP of 5.04, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)-(8-hydroxyquinolin-7-yl)methyl]-2-phenylacetamide is sourced from PubChem (CID 2876998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).