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

C20H19ClN2O2 — CID 2876731

IUPACN-[(2-chlorophenyl)-(8-hydroxyquinolin-7-yl)methyl]butanamide
SMILESCCCC(=O)NC(c1ccccc1Cl)c1ccc2cccnc2c1O
InChIInChI=1S/C20H19ClN2O2/c1-2-6-17(24)23-19(14-8-3-4-9-16(14)21)15-11-10-13-7-5-12-22-18(13)20(15)25/h3-5,7-12,19,25H,2,6H2,1H3,(H,23,24)
InChIKeyOWOWQMUMYCQXBI-UHFFFAOYSA-N
MW354.84 g/mol
LogP4.60
Rot. Bonds5

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

N-[(2-chlorophenyl)-(8-hydroxyquinolin-7-yl)methyl]butanamide (PubChem CID 2876731) has the molecular formula C20H19ClN2O2 and a molecular weight of 354.84 g/mol. Its IUPAC name is N-[(2-chlorophenyl)-(8-hydroxyquinolin-7-yl)methyl]butanamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)-(8-hydroxyquinolin-7-yl)methyl]butanamide
PubChem CID2876731
Molecular FormulaC20H19ClN2O2
Molecular Weight354.84 g/mol
Exact Mass354.11
IUPAC NameN-[(2-chlorophenyl)-(8-hydroxyquinolin-7-yl)methyl]butanamide
SMILESCCCC(=O)NC(c1ccccc1Cl)c1ccc2cccnc2c1O
InChIInChI=1S/C20H19ClN2O2/c1-2-6-17(24)23-19(14-8-3-4-9-16(14)21)15-11-10-13-7-5-12-22-18(13)20(15)25/h3-5,7-12,19,25H,2,6H2,1H3,(H,23,24)
InChIKeyOWOWQMUMYCQXBI-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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Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)-(8-hydroxyquinolin-7-yl)methyl]butanamide?
The IUPAC name of N-[(2-chlorophenyl)-(8-hydroxyquinolin-7-yl)methyl]butanamide (CID 2876731) is N-[(2-chlorophenyl)-(8-hydroxyquinolin-7-yl)methyl]butanamide.
What is the SMILES notation for N-[(2-chlorophenyl)-(8-hydroxyquinolin-7-yl)methyl]butanamide?
The canonical SMILES for N-[(2-chlorophenyl)-(8-hydroxyquinolin-7-yl)methyl]butanamide is CCCC(=O)NC(c1ccccc1Cl)c1ccc2cccnc2c1O.
What is the InChIKey of N-[(2-chlorophenyl)-(8-hydroxyquinolin-7-yl)methyl]butanamide?
The InChIKey is OWOWQMUMYCQXBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN2O2/c1-2-6-17(24)23-19(14-8-3-4-9-16(14)21)15-11-10-13-7-5-12-22-18(13)20(15)25/h3-5,7-12,19,25H,2,6H2,1H3,(H,23,24).
What are the key properties of N-[(2-chlorophenyl)-(8-hydroxyquinolin-7-yl)methyl]butanamide?
N-[(2-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-[(2-chlorophenyl)-(8-hydroxyquinolin-7-yl)methyl]butanamide is sourced from PubChem (CID 2876731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).