N-[(8-hydroxyquinolin-7-yl)-phenylmethyl]pentanamide

C21H22N2O2 — CID 3129244

IUPACN-[(8-hydroxyquinolin-7-yl)-phenylmethyl]pentanamide
SMILESCCCCC(=O)NC(c1ccccc1)c1ccc2cccnc2c1O
InChIInChI=1S/C21H22N2O2/c1-2-3-11-18(24)23-19(15-8-5-4-6-9-15)17-13-12-16-10-7-14-22-20(16)21(17)25/h4-10,12-14,19,25H,2-3,11H2,1H3,(H,23,24)
InChIKeyCVIIJBCJKCLLCV-UHFFFAOYSA-N
MW334.42 g/mol
LogP4.34
Rot. Bonds6

About N-[(8-hydroxyquinolin-7-yl)-phenylmethyl]pentanamide

N-[(8-hydroxyquinolin-7-yl)-phenylmethyl]pentanamide (PubChem CID 3129244) has the molecular formula C21H22N2O2 and a molecular weight of 334.42 g/mol. Its IUPAC name is N-[(8-hydroxyquinolin-7-yl)-phenylmethyl]pentanamide.

Molecular Properties

Compound NameN-[(8-hydroxyquinolin-7-yl)-phenylmethyl]pentanamide
PubChem CID3129244
Molecular FormulaC21H22N2O2
Molecular Weight334.42 g/mol
Exact Mass334.17
IUPAC NameN-[(8-hydroxyquinolin-7-yl)-phenylmethyl]pentanamide
SMILESCCCCC(=O)NC(c1ccccc1)c1ccc2cccnc2c1O
InChIInChI=1S/C21H22N2O2/c1-2-3-11-18(24)23-19(15-8-5-4-6-9-15)17-13-12-16-10-7-14-22-20(16)21(17)25/h4-10,12-14,19,25H,2-3,11H2,1H3,(H,23,24)
InChIKeyCVIIJBCJKCLLCV-UHFFFAOYSA-N
XLogP4.34
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 54.34
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-[(8-hydroxyquinolin-7-yl)-phenylmethyl]pentanamide?
The IUPAC name of N-[(8-hydroxyquinolin-7-yl)-phenylmethyl]pentanamide (CID 3129244) is N-[(8-hydroxyquinolin-7-yl)-phenylmethyl]pentanamide.
What is the SMILES notation for N-[(8-hydroxyquinolin-7-yl)-phenylmethyl]pentanamide?
The canonical SMILES for N-[(8-hydroxyquinolin-7-yl)-phenylmethyl]pentanamide is CCCCC(=O)NC(c1ccccc1)c1ccc2cccnc2c1O.
What is the InChIKey of N-[(8-hydroxyquinolin-7-yl)-phenylmethyl]pentanamide?
The InChIKey is CVIIJBCJKCLLCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O2/c1-2-3-11-18(24)23-19(15-8-5-4-6-9-15)17-13-12-16-10-7-14-22-20(16)21(17)25/h4-10,12-14,19,25H,2-3,11H2,1H3,(H,23,24).
What are the key properties of N-[(8-hydroxyquinolin-7-yl)-phenylmethyl]pentanamide?
N-[(8-hydroxyquinolin-7-yl)-phenylmethyl]pentanamide has a molecular weight of 334.42 g/mol, XLogP of 4.34, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(8-hydroxyquinolin-7-yl)-phenylmethyl]pentanamide is sourced from PubChem (CID 3129244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).