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

C21H21ClN2O2 — CID 3129252

IUPACN-[(2-chlorophenyl)-(8-hydroxyquinolin-7-yl)methyl]pentanamide
SMILESCCCCC(=O)NC(c1ccccc1Cl)c1ccc2cccnc2c1O
InChIInChI=1S/C21H21ClN2O2/c1-2-3-10-18(25)24-20(15-8-4-5-9-17(15)22)16-12-11-14-7-6-13-23-19(14)21(16)26/h4-9,11-13,20,26H,2-3,10H2,1H3,(H,24,25)
InChIKeyYJVWZPHTRDHQJX-UHFFFAOYSA-N
MW368.86 g/mol
LogP4.99
Rot. Bonds6

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

N-[(2-chlorophenyl)-(8-hydroxyquinolin-7-yl)methyl]pentanamide (PubChem CID 3129252) has the molecular formula C21H21ClN2O2 and a molecular weight of 368.86 g/mol. Its IUPAC name is N-[(2-chlorophenyl)-(8-hydroxyquinolin-7-yl)methyl]pentanamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)-(8-hydroxyquinolin-7-yl)methyl]pentanamide
PubChem CID3129252
Molecular FormulaC21H21ClN2O2
Molecular Weight368.86 g/mol
Exact Mass368.13
IUPAC NameN-[(2-chlorophenyl)-(8-hydroxyquinolin-7-yl)methyl]pentanamide
SMILESCCCCC(=O)NC(c1ccccc1Cl)c1ccc2cccnc2c1O
InChIInChI=1S/C21H21ClN2O2/c1-2-3-10-18(25)24-20(15-8-4-5-9-17(15)22)16-12-11-14-7-6-13-23-19(14)21(16)26/h4-9,11-13,20,26H,2-3,10H2,1H3,(H,24,25)
InChIKeyYJVWZPHTRDHQJX-UHFFFAOYSA-N
XLogP4.99
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.86
LogP ≤ 54.99
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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Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)-(8-hydroxyquinolin-7-yl)methyl]pentanamide?
The IUPAC name of N-[(2-chlorophenyl)-(8-hydroxyquinolin-7-yl)methyl]pentanamide (CID 3129252) is N-[(2-chlorophenyl)-(8-hydroxyquinolin-7-yl)methyl]pentanamide.
What is the SMILES notation for N-[(2-chlorophenyl)-(8-hydroxyquinolin-7-yl)methyl]pentanamide?
The canonical SMILES for N-[(2-chlorophenyl)-(8-hydroxyquinolin-7-yl)methyl]pentanamide is CCCCC(=O)NC(c1ccccc1Cl)c1ccc2cccnc2c1O.
What is the InChIKey of N-[(2-chlorophenyl)-(8-hydroxyquinolin-7-yl)methyl]pentanamide?
The InChIKey is YJVWZPHTRDHQJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN2O2/c1-2-3-10-18(25)24-20(15-8-4-5-9-17(15)22)16-12-11-14-7-6-13-23-19(14)21(16)26/h4-9,11-13,20,26H,2-3,10H2,1H3,(H,24,25).
What are the key properties of N-[(2-chlorophenyl)-(8-hydroxyquinolin-7-yl)methyl]pentanamide?
N-[(2-chlorophenyl)-(8-hydroxyquinolin-7-yl)methyl]pentanamide has a molecular weight of 368.86 g/mol, XLogP of 4.99, 6 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]pentanamide is sourced from PubChem (CID 3129252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).