3-amino-N-quinolin-6-ylcyclopentane-1-carboxamide;dihydrochloride

C15H19Cl2N3O — CID 119842997

IUPAC3-amino-N-quinolin-6-ylcyclopentane-1-carboxamide;dihydrochloride
SMILESCl.Cl.NC1CCC(C(=O)Nc2ccc3ncccc3c2)C1
InChIInChI=1S/C15H17N3O.2ClH/c16-12-4-3-11(8-12)15(19)18-13-5-6-14-10(9-13)2-1-7-17-14;;/h1-2,5-7,9,11-12H,3-4,8,16H2,(H,18,19);2*1H
InChIKeyVUYGQTKMEMJKSE-UHFFFAOYSA-N
MW328.24 g/mol
LogP3.14
Rot. Bonds2

About 3-amino-N-quinolin-6-ylcyclopentane-1-carboxamide;dihydrochloride

3-amino-N-quinolin-6-ylcyclopentane-1-carboxamide;dihydrochloride (PubChem CID 119842997) has the molecular formula C15H19Cl2N3O and a molecular weight of 328.24 g/mol. Its IUPAC name is 3-amino-N-quinolin-6-ylcyclopentane-1-carboxamide;dihydrochloride.

Molecular Properties

Compound Name3-amino-N-quinolin-6-ylcyclopentane-1-carboxamide;dihydrochloride
PubChem CID119842997
Molecular FormulaC15H19Cl2N3O
Molecular Weight328.24 g/mol
Exact Mass327.09
IUPAC Name3-amino-N-quinolin-6-ylcyclopentane-1-carboxamide;dihydrochloride
SMILESCl.Cl.NC1CCC(C(=O)Nc2ccc3ncccc3c2)C1
InChIInChI=1S/C15H17N3O.2ClH/c16-12-4-3-11(8-12)15(19)18-13-5-6-14-10(9-13)2-1-7-17-14;;/h1-2,5-7,9,11-12H,3-4,8,16H2,(H,18,19);2*1H
InChIKeyVUYGQTKMEMJKSE-UHFFFAOYSA-N
XLogP3.14
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.24
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(quinolin-6-ylcarbamoyl)cyclopentane-1-carboxylic acid
CID 103550679
3-amino-N-quinoxalin-6-ylcyclopentane-1-carboxamide;hydrochloride
CID 119708395
4-amino-N-quinolin-6-ylcyclopent-2-ene-1-carboxamide
CID 79207327
3-amino-N-naphthalen-2-ylcyclohexane-1-carboxamide
CID 63043411
3-amino-N-(3,4-dimethylphenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119670627
3-amino-N-(2-methyl-1,3-benzothiazol-6-yl)cyclopentane-1-carboxamide
CID 66009345
3-(quinolin-6-ylcarbamoyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 3173103
4-methyl-N-quinolin-6-ylpiperidine-2-carboxamide
CID 114423932
N-quinolin-6-yl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 90640170
3-amino-N-(4-methylphenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119670946
3-amino-N-(4-fluorophenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119670664
2,2-dimethyl-3-(quinolin-6-ylcarbamoyl)cyclopropane-1-carboxylic acid
CID 64835821

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-quinolin-6-ylcyclopentane-1-carboxamide;dihydrochloride?
The IUPAC name of 3-amino-N-quinolin-6-ylcyclopentane-1-carboxamide;dihydrochloride (CID 119842997) is 3-amino-N-quinolin-6-ylcyclopentane-1-carboxamide;dihydrochloride.
What is the SMILES notation for 3-amino-N-quinolin-6-ylcyclopentane-1-carboxamide;dihydrochloride?
The canonical SMILES for 3-amino-N-quinolin-6-ylcyclopentane-1-carboxamide;dihydrochloride is Cl.Cl.NC1CCC(C(=O)Nc2ccc3ncccc3c2)C1.
What is the InChIKey of 3-amino-N-quinolin-6-ylcyclopentane-1-carboxamide;dihydrochloride?
The InChIKey is VUYGQTKMEMJKSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O.2ClH/c16-12-4-3-11(8-12)15(19)18-13-5-6-14-10(9-13)2-1-7-17-14;;/h1-2,5-7,9,11-12H,3-4,8,16H2,(H,18,19);2*1H.
What are the key properties of 3-amino-N-quinolin-6-ylcyclopentane-1-carboxamide;dihydrochloride?
3-amino-N-quinolin-6-ylcyclopentane-1-carboxamide;dihydrochloride has a molecular weight of 328.24 g/mol, XLogP of 3.14, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-quinolin-6-ylcyclopentane-1-carboxamide;dihydrochloride is sourced from PubChem (CID 119842997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).