N-[(5-chloro-8-hydroxyquinolin-7-yl)-(4-methylphenyl)methyl]-2-methylpropanamide

C21H21ClN2O2 — CID 3138762

IUPACN-[(5-chloro-8-hydroxyquinolin-7-yl)-(4-methylphenyl)methyl]-2-methylpropanamide
SMILESCc1ccc(C(NC(=O)C(C)C)c2cc(Cl)c3cccnc3c2O)cc1
InChIInChI=1S/C21H21ClN2O2/c1-12(2)21(26)24-18(14-8-6-13(3)7-9-14)16-11-17(22)15-5-4-10-23-19(15)20(16)25/h4-12,18,25H,1-3H3,(H,24,26)
InChIKeyNSHKLFCPKDWPFW-UHFFFAOYSA-N
MW368.86 g/mol
LogP4.76
Rot. Bonds4

About N-[(5-chloro-8-hydroxyquinolin-7-yl)-(4-methylphenyl)methyl]-2-methylpropanamide

N-[(5-chloro-8-hydroxyquinolin-7-yl)-(4-methylphenyl)methyl]-2-methylpropanamide (PubChem CID 3138762) has the molecular formula C21H21ClN2O2 and a molecular weight of 368.86 g/mol. Its IUPAC name is N-[(5-chloro-8-hydroxyquinolin-7-yl)-(4-methylphenyl)methyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[(5-chloro-8-hydroxyquinolin-7-yl)-(4-methylphenyl)methyl]-2-methylpropanamide
PubChem CID3138762
Molecular FormulaC21H21ClN2O2
Molecular Weight368.86 g/mol
Exact Mass368.13
IUPAC NameN-[(5-chloro-8-hydroxyquinolin-7-yl)-(4-methylphenyl)methyl]-2-methylpropanamide
SMILESCc1ccc(C(NC(=O)C(C)C)c2cc(Cl)c3cccnc3c2O)cc1
InChIInChI=1S/C21H21ClN2O2/c1-12(2)21(26)24-18(14-8-6-13(3)7-9-14)16-11-17(22)15-5-4-10-23-19(15)20(16)25/h4-12,18,25H,1-3H3,(H,24,26)
InChIKeyNSHKLFCPKDWPFW-UHFFFAOYSA-N
XLogP4.76
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.86
LogP ≤ 54.76
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-[(5-chloro-8-hydroxyquinolin-7-yl)-(4-methylphenyl)methyl]acetamide
CID 2920402
N-[(5-chloro-8-hydroxyquinolin-7-yl)-(4-chlorophenyl)methyl]acetamide
CID 3136129
N-[(R)-(8-hydroxy-5-nitroquinolin-7-yl)-(4-propan-2-ylphenyl)methyl]-2-methylpropanamide
CID 1312452
N-[(S)-(5-chloro-8-hydroxyquinolin-7-yl)-(4-methylphenyl)methyl]-3-methoxybenzamide
CID 2259138
N-[(5-chloro-8-hydroxyquinolin-7-yl)-(2-chlorophenyl)methyl]-2-phenoxyacetamide;N-[(5-chloro-8-hydroxyquinolin-7-yl)-(4-methylphenyl)methyl]-2-phenoxyacetamide
CID 161339041
N-[(5-chloro-8-hydroxyquinolin-7-yl)-phenylmethyl]benzamide
CID 24958912
N-[(R)-(5-chloro-8-hydroxyquinolin-7-yl)-(4-chlorophenyl)methyl]-4-methoxybenzamide
CID 2259163
2-chloro-N-[(5-chloro-8-hydroxyquinolin-7-yl)-pyridin-3-ylmethyl]acetamide
CID 164865635
5-chloro-7-[(R)-(2,5-dimethylphenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol
CID 2221516
N-[(5,8-dihydroxyquinolin-7-yl)-thiophen-2-ylmethyl]-2-methylpropanamide
CID 176719635
N-[(8-hydroxy-5-nitroquinolin-7-yl)-(4-methylphenyl)methyl]pentanamide
CID 46499581
5-chloro-7-pentan-3-ylquinolin-8-ol
CID 91402893

Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-8-hydroxyquinolin-7-yl)-(4-methylphenyl)methyl]-2-methylpropanamide?
The IUPAC name of N-[(5-chloro-8-hydroxyquinolin-7-yl)-(4-methylphenyl)methyl]-2-methylpropanamide (CID 3138762) is N-[(5-chloro-8-hydroxyquinolin-7-yl)-(4-methylphenyl)methyl]-2-methylpropanamide.
What is the SMILES notation for N-[(5-chloro-8-hydroxyquinolin-7-yl)-(4-methylphenyl)methyl]-2-methylpropanamide?
The canonical SMILES for N-[(5-chloro-8-hydroxyquinolin-7-yl)-(4-methylphenyl)methyl]-2-methylpropanamide is Cc1ccc(C(NC(=O)C(C)C)c2cc(Cl)c3cccnc3c2O)cc1.
What is the InChIKey of N-[(5-chloro-8-hydroxyquinolin-7-yl)-(4-methylphenyl)methyl]-2-methylpropanamide?
The InChIKey is NSHKLFCPKDWPFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN2O2/c1-12(2)21(26)24-18(14-8-6-13(3)7-9-14)16-11-17(22)15-5-4-10-23-19(15)20(16)25/h4-12,18,25H,1-3H3,(H,24,26).
What are the key properties of N-[(5-chloro-8-hydroxyquinolin-7-yl)-(4-methylphenyl)methyl]-2-methylpropanamide?
N-[(5-chloro-8-hydroxyquinolin-7-yl)-(4-methylphenyl)methyl]-2-methylpropanamide has a molecular weight of 368.86 g/mol, XLogP of 4.76, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-8-hydroxyquinolin-7-yl)-(4-methylphenyl)methyl]-2-methylpropanamide is sourced from PubChem (CID 3138762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).