N-[2-(aminomethyl)cyclopentyl]quinoxaline-2-carboxamide;dihydrochloride

C15H20Cl2N4O — CID 119600664

IUPACN-[2-(aminomethyl)cyclopentyl]quinoxaline-2-carboxamide;dihydrochloride
SMILESCl.Cl.NCC1CCCC1NC(=O)c1cnc2ccccc2n1
InChIInChI=1S/C15H18N4O.2ClH/c16-8-10-4-3-7-11(10)19-15(20)14-9-17-12-5-1-2-6-13(12)18-14;;/h1-2,5-6,9-11H,3-4,7-8,16H2,(H,19,20);2*1H
InChIKeyFQPPWUHFQTXGHM-UHFFFAOYSA-N
MW343.26 g/mol
LogP2.33
Rot. Bonds3

About N-[2-(aminomethyl)cyclopentyl]quinoxaline-2-carboxamide;dihydrochloride

N-[2-(aminomethyl)cyclopentyl]quinoxaline-2-carboxamide;dihydrochloride (PubChem CID 119600664) has the molecular formula C15H20Cl2N4O and a molecular weight of 343.26 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclopentyl]quinoxaline-2-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclopentyl]quinoxaline-2-carboxamide;dihydrochloride
PubChem CID119600664
Molecular FormulaC15H20Cl2N4O
Molecular Weight343.26 g/mol
Exact Mass342.10
IUPAC NameN-[2-(aminomethyl)cyclopentyl]quinoxaline-2-carboxamide;dihydrochloride
SMILESCl.Cl.NCC1CCCC1NC(=O)c1cnc2ccccc2n1
InChIInChI=1S/C15H18N4O.2ClH/c16-8-10-4-3-7-11(10)19-15(20)14-9-17-12-5-1-2-6-13(12)18-14;;/h1-2,5-6,9-11H,3-4,7-8,16H2,(H,19,20);2*1H
InChIKeyFQPPWUHFQTXGHM-UHFFFAOYSA-N
XLogP2.33
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.26
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1S,2R)-2-(aminomethyl)cyclopentyl]benzamide
CID 94903786
N-cyclooctylquinoxaline-2-carboxamide
CID 22136387
N-[(1R,2S)-2-(aminomethyl)cyclopentyl]-6-methylpyridine-2-carboxamide
CID 139013357
N-[2-(aminomethyl)cyclopentyl]-2-phenyl-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119604930
N-[2-(aminomethyl)cyclohexyl]pyrazine-2-carboxamide;dihydrochloride
CID 119611743
N-[2-(aminomethyl)cyclopentyl]-4-(1,2,4-oxadiazol-3-yl)benzamide;hydrochloride
CID 119604010
N-[2-(aminomethyl)cyclohexyl]-2-benzyl-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119609820
N-[2-(aminomethyl)cyclohexyl]isoquinoline-1-carboxamide;dihydrochloride
CID 119610583
N-(1-amino-2-cyclopropylpropan-2-yl)quinoxaline-2-carboxamide;dihydrochloride
CID 119572354
N-[2-(aminomethyl)cyclohexyl]-1,2-oxazole-3-carboxamide;hydrochloride
CID 119609735
N-[2-(aminomethyl)cyclopentyl]-4-benzamidobenzamide;hydrochloride
CID 119603744
N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]quinoxaline-2-carboxamide
CID 46589381

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclopentyl]quinoxaline-2-carboxamide;dihydrochloride?
The IUPAC name of N-[2-(aminomethyl)cyclopentyl]quinoxaline-2-carboxamide;dihydrochloride (CID 119600664) is N-[2-(aminomethyl)cyclopentyl]quinoxaline-2-carboxamide;dihydrochloride.
What is the SMILES notation for N-[2-(aminomethyl)cyclopentyl]quinoxaline-2-carboxamide;dihydrochloride?
The canonical SMILES for N-[2-(aminomethyl)cyclopentyl]quinoxaline-2-carboxamide;dihydrochloride is Cl.Cl.NCC1CCCC1NC(=O)c1cnc2ccccc2n1.
What is the InChIKey of N-[2-(aminomethyl)cyclopentyl]quinoxaline-2-carboxamide;dihydrochloride?
The InChIKey is FQPPWUHFQTXGHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O.2ClH/c16-8-10-4-3-7-11(10)19-15(20)14-9-17-12-5-1-2-6-13(12)18-14;;/h1-2,5-6,9-11H,3-4,7-8,16H2,(H,19,20);2*1H.
What are the key properties of N-[2-(aminomethyl)cyclopentyl]quinoxaline-2-carboxamide;dihydrochloride?
N-[2-(aminomethyl)cyclopentyl]quinoxaline-2-carboxamide;dihydrochloride has a molecular weight of 343.26 g/mol, XLogP of 2.33, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)cyclopentyl]quinoxaline-2-carboxamide;dihydrochloride is sourced from PubChem (CID 119600664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).