4-amino-N-quinolin-6-ylcyclopent-2-ene-1-carboxamide

C15H15N3O — CID 79207327

IUPAC4-amino-N-quinolin-6-ylcyclopent-2-ene-1-carboxamide
SMILESNC1C=CC(C(=O)Nc2ccc3ncccc3c2)C1
InChIInChI=1S/C15H15N3O/c16-12-4-3-11(8-12)15(19)18-13-5-6-14-10(9-13)2-1-7-17-14/h1-7,9,11-12H,8,16H2,(H,18,19)
InChIKeyIQSZBQFOWBZORB-UHFFFAOYSA-N
MW253.30 g/mol
LogP2.08
Rot. Bonds2

About 4-amino-N-quinolin-6-ylcyclopent-2-ene-1-carboxamide

4-amino-N-quinolin-6-ylcyclopent-2-ene-1-carboxamide (PubChem CID 79207327) has the molecular formula C15H15N3O and a molecular weight of 253.30 g/mol. Its IUPAC name is 4-amino-N-quinolin-6-ylcyclopent-2-ene-1-carboxamide.

Molecular Properties

Compound Name4-amino-N-quinolin-6-ylcyclopent-2-ene-1-carboxamide
PubChem CID79207327
Molecular FormulaC15H15N3O
Molecular Weight253.30 g/mol
Exact Mass253.12
IUPAC Name4-amino-N-quinolin-6-ylcyclopent-2-ene-1-carboxamide
SMILESNC1C=CC(C(=O)Nc2ccc3ncccc3c2)C1
InChIInChI=1S/C15H15N3O/c16-12-4-3-11(8-12)15(19)18-13-5-6-14-10(9-13)2-1-7-17-14/h1-7,9,11-12H,8,16H2,(H,18,19)
InChIKeyIQSZBQFOWBZORB-UHFFFAOYSA-N
XLogP2.08
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-amino-N-quinolin-6-ylcyclopentane-1-carboxamide;dihydrochloride
CID 119842997
4-amino-N-(3,4-dichlorophenyl)cyclopent-2-ene-1-carboxamide
CID 79210508
3-(quinolin-6-ylcarbamoyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 3173103
3-(quinolin-6-ylcarbamoyl)cyclopentane-1-carboxylic acid
CID 103550679
2,2-dimethyl-3-(quinolin-6-ylcarbamoyl)cyclopropane-1-carboxylic acid
CID 64835821
N,N'-di(quinolin-6-yl)propanediamide
CID 2837594
4-methyl-N-quinolin-6-ylpiperidine-2-carboxamide
CID 114423932
N-quinolin-6-ylbenzamide
CID 833617
2-amino-2-methyl-N-quinolin-6-ylpropanamide
CID 62636163
quinolin-6-ylthiourea
CID 1480925
4-amino-N-(6-pyrazol-1-yl-3-pyridinyl)cyclopent-2-ene-1-carboxamide
CID 79210458
1-N-quinolin-6-ylcyclobutane-1,3-diamine
CID 80562353

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-quinolin-6-ylcyclopent-2-ene-1-carboxamide?
The IUPAC name of 4-amino-N-quinolin-6-ylcyclopent-2-ene-1-carboxamide (CID 79207327) is 4-amino-N-quinolin-6-ylcyclopent-2-ene-1-carboxamide.
What is the SMILES notation for 4-amino-N-quinolin-6-ylcyclopent-2-ene-1-carboxamide?
The canonical SMILES for 4-amino-N-quinolin-6-ylcyclopent-2-ene-1-carboxamide is NC1C=CC(C(=O)Nc2ccc3ncccc3c2)C1.
What is the InChIKey of 4-amino-N-quinolin-6-ylcyclopent-2-ene-1-carboxamide?
The InChIKey is IQSZBQFOWBZORB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O/c16-12-4-3-11(8-12)15(19)18-13-5-6-14-10(9-13)2-1-7-17-14/h1-7,9,11-12H,8,16H2,(H,18,19).
What are the key properties of 4-amino-N-quinolin-6-ylcyclopent-2-ene-1-carboxamide?
4-amino-N-quinolin-6-ylcyclopent-2-ene-1-carboxamide has a molecular weight of 253.30 g/mol, XLogP of 2.08, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-quinolin-6-ylcyclopent-2-ene-1-carboxamide is sourced from PubChem (CID 79207327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).