N-cyclopentyl-N'-quinolin-8-ylpropanediamide

C17H19N3O2 — CID 108942283

IUPACN-cyclopentyl-N'-quinolin-8-ylpropanediamide
SMILESO=C(CC(=O)NC1CCCC1)Nc1cccc2cccnc12
InChIInChI=1S/C17H19N3O2/c21-15(19-13-7-1-2-8-13)11-16(22)20-14-9-3-5-12-6-4-10-18-17(12)14/h3-6,9-10,13H,1-2,7-8,11H2,(H,19,21)(H,20,22)
InChIKeyPBCJMEKWIJZGQA-UHFFFAOYSA-N
MW297.36 g/mol
LogP2.62
Rot. Bonds4

About N-cyclopentyl-N'-quinolin-8-ylpropanediamide

N-cyclopentyl-N'-quinolin-8-ylpropanediamide (PubChem CID 108942283) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is N-cyclopentyl-N'-quinolin-8-ylpropanediamide.

Molecular Properties

Compound NameN-cyclopentyl-N'-quinolin-8-ylpropanediamide
PubChem CID108942283
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC NameN-cyclopentyl-N'-quinolin-8-ylpropanediamide
SMILESO=C(CC(=O)NC1CCCC1)Nc1cccc2cccnc12
InChIInChI=1S/C17H19N3O2/c21-15(19-13-7-1-2-8-13)11-16(22)20-14-9-3-5-12-6-4-10-18-17(12)14/h3-6,9-10,13H,1-2,7-8,11H2,(H,19,21)(H,20,22)
InChIKeyPBCJMEKWIJZGQA-UHFFFAOYSA-N
XLogP2.62
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

1-N-cyclopentyl-4-N-quinolin-8-ylbenzene-1,4-dicarboxamide
CID 109044532
1-N-cyclopentyl-1-N'-quinolin-8-ylcyclopropane-1,1-dicarboxamide
CID 108971914
N-quinolin-8-ylcyclohexanecarboxamide
CID 835933
1-N-cyclopropyl-4-N-quinolin-8-ylcyclohexane-1,4-dicarboxamide
CID 109144816
2-fluoro-N-quinolin-8-ylacetamide
CID 175257606
3-(2-ethylpiperidin-1-yl)-3-oxo-N-quinolin-8-ylpropanamide
CID 108952272
N-quinolin-8-yloxane-2-carboxamide
CID 110863491
2-nitro-N-quinolin-8-ylacetamide
CID 108814489
N'-(2-chlorophenyl)-N-cyclopentylpropanediamide
CID 108942228
4-(cyclohexanecarbonylamino)-N-quinolin-8-ylpiperidine-1-carboxamide
CID 127145528
N-quinolin-8-ylhex-3-enamide
CID 151663814
N-(2,4-difluorophenyl)-N'-quinolin-8-ylpropanediamide
CID 108956736

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-N'-quinolin-8-ylpropanediamide?
The IUPAC name of N-cyclopentyl-N'-quinolin-8-ylpropanediamide (CID 108942283) is N-cyclopentyl-N'-quinolin-8-ylpropanediamide.
What is the SMILES notation for N-cyclopentyl-N'-quinolin-8-ylpropanediamide?
The canonical SMILES for N-cyclopentyl-N'-quinolin-8-ylpropanediamide is O=C(CC(=O)NC1CCCC1)Nc1cccc2cccnc12.
What is the InChIKey of N-cyclopentyl-N'-quinolin-8-ylpropanediamide?
The InChIKey is PBCJMEKWIJZGQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2/c21-15(19-13-7-1-2-8-13)11-16(22)20-14-9-3-5-12-6-4-10-18-17(12)14/h3-6,9-10,13H,1-2,7-8,11H2,(H,19,21)(H,20,22).
What are the key properties of N-cyclopentyl-N'-quinolin-8-ylpropanediamide?
N-cyclopentyl-N'-quinolin-8-ylpropanediamide has a molecular weight of 297.36 g/mol, XLogP of 2.62, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-N'-quinolin-8-ylpropanediamide is sourced from PubChem (CID 108942283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).