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

C20H19ClN2O2 — CID 2876611

IUPACN-[(4-chlorophenyl)-(8-hydroxyquinolin-7-yl)methyl]butanamide
SMILESCCCC(=O)NC(c1ccc(Cl)cc1)c1ccc2cccnc2c1O
InChIInChI=1S/C20H19ClN2O2/c1-2-4-17(24)23-18(14-6-9-15(21)10-7-14)16-11-8-13-5-3-12-22-19(13)20(16)25/h3,5-12,18,25H,2,4H2,1H3,(H,23,24)
InChIKeyWUYUBRRFSCEXCC-UHFFFAOYSA-N
MW354.84 g/mol
LogP4.60
Rot. Bonds5

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

N-[(4-chlorophenyl)-(8-hydroxyquinolin-7-yl)methyl]butanamide (PubChem CID 2876611) has the molecular formula C20H19ClN2O2 and a molecular weight of 354.84 g/mol. Its IUPAC name is N-[(4-chlorophenyl)-(8-hydroxyquinolin-7-yl)methyl]butanamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)-(8-hydroxyquinolin-7-yl)methyl]butanamide
PubChem CID2876611
Molecular FormulaC20H19ClN2O2
Molecular Weight354.84 g/mol
Exact Mass354.11
IUPAC NameN-[(4-chlorophenyl)-(8-hydroxyquinolin-7-yl)methyl]butanamide
SMILESCCCC(=O)NC(c1ccc(Cl)cc1)c1ccc2cccnc2c1O
InChIInChI=1S/C20H19ClN2O2/c1-2-4-17(24)23-18(14-6-9-15(21)10-7-14)16-11-8-13-5-3-12-22-19(13)20(16)25/h3,5-12,18,25H,2,4H2,1H3,(H,23,24)
InChIKeyWUYUBRRFSCEXCC-UHFFFAOYSA-N
XLogP4.60
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.84
LogP ≤ 54.60
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)(phenyl)methyl)acetamide
CID 2921493
N-[(8-hydroxyquinolin-7-yl)-(4-methoxyphenyl)methyl]butanamide
CID 2876872
N-[(8-hydroxyquinolin-7-yl)(phenyl)methyl]pentanamide
CID 3129244
N-[(8-Hydroxy-quinolin-7-yl)-p-tolyl-methyl]-butyramide
CID 3129243
N-[(2,4-Dichloro-phenyl)-(8-hydroxy-quinolin-7-yl)-methyl]-isobutyramide
CID 2920814
N-((8-hydroxyquinolin-7-yl)(4-isopropylphenyl)methyl)acetamide
CID 2921404
N-[(2,4-Dichloro-phenyl)-(8-hydroxy-quinolin-7-yl)-methyl]-acetamide
CID 3136121
N-[(8-Hydroxy-quinolin-7-yl)-(4-isopropyl-phenyl)-methyl]-butyramide
CID 3136125
7-{(3-Chlorophenyl)[(6-methylpyridin-2-yl)amino]methyl}quinolin-8-ol
CID 2895830
N-[(8-hydroxyquinolin-7-yl)-(3-nitrophenyl)methyl]pentanamide
CID 3129245
N-[(4-dimethylaminophenyl)-(8-hydroxy-7-quinolyl)methyl]pentanamide
CID 3129247
N-[(8-Hydroxy-quinolin-7-yl)-(3-nitro-phenyl)-methyl]-acetamide
CID 2872206

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)-(8-hydroxyquinolin-7-yl)methyl]butanamide?
The IUPAC name of N-[(4-chlorophenyl)-(8-hydroxyquinolin-7-yl)methyl]butanamide (CID 2876611) is N-[(4-chlorophenyl)-(8-hydroxyquinolin-7-yl)methyl]butanamide.
What is the SMILES notation for N-[(4-chlorophenyl)-(8-hydroxyquinolin-7-yl)methyl]butanamide?
The canonical SMILES for N-[(4-chlorophenyl)-(8-hydroxyquinolin-7-yl)methyl]butanamide is CCCC(=O)NC(c1ccc(Cl)cc1)c1ccc2cccnc2c1O.
What is the InChIKey of N-[(4-chlorophenyl)-(8-hydroxyquinolin-7-yl)methyl]butanamide?
The InChIKey is WUYUBRRFSCEXCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN2O2/c1-2-4-17(24)23-18(14-6-9-15(21)10-7-14)16-11-8-13-5-3-12-22-19(13)20(16)25/h3,5-12,18,25H,2,4H2,1H3,(H,23,24).
What are the key properties of N-[(4-chlorophenyl)-(8-hydroxyquinolin-7-yl)methyl]butanamide?
N-[(4-chlorophenyl)-(8-hydroxyquinolin-7-yl)methyl]butanamide has a molecular weight of 354.84 g/mol, XLogP of 4.60, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)-(8-hydroxyquinolin-7-yl)methyl]butanamide is sourced from PubChem (CID 2876611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).