1-(aminomethyl)-N-(6-chloroquinolin-8-yl)cyclopentane-1-carboxamide

C16H18ClN3O — CID 115434790

IUPAC1-(aminomethyl)-N-(6-chloroquinolin-8-yl)cyclopentane-1-carboxamide
SMILESNCC1(C(=O)Nc2cc(Cl)cc3cccnc23)CCCC1
InChIInChI=1S/C16H18ClN3O/c17-12-8-11-4-3-7-19-14(11)13(9-12)20-15(21)16(10-18)5-1-2-6-16/h3-4,7-9H,1-2,5-6,10,18H2,(H,20,21)
InChIKeySXFYIPNWSGOQRL-UHFFFAOYSA-N
MW303.79 g/mol
LogP3.35
Rot. Bonds3

About 1-(aminomethyl)-N-(6-chloroquinolin-8-yl)cyclopentane-1-carboxamide

1-(aminomethyl)-N-(6-chloroquinolin-8-yl)cyclopentane-1-carboxamide (PubChem CID 115434790) has the molecular formula C16H18ClN3O and a molecular weight of 303.79 g/mol. Its IUPAC name is 1-(aminomethyl)-N-(6-chloroquinolin-8-yl)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-N-(6-chloroquinolin-8-yl)cyclopentane-1-carboxamide
PubChem CID115434790
Molecular FormulaC16H18ClN3O
Molecular Weight303.79 g/mol
Exact Mass303.11
IUPAC Name1-(aminomethyl)-N-(6-chloroquinolin-8-yl)cyclopentane-1-carboxamide
SMILESNCC1(C(=O)Nc2cc(Cl)cc3cccnc23)CCCC1
InChIInChI=1S/C16H18ClN3O/c17-12-8-11-4-3-7-19-14(11)13(9-12)20-15(21)16(10-18)5-1-2-6-16/h3-4,7-9H,1-2,5-6,10,18H2,(H,20,21)
InChIKeySXFYIPNWSGOQRL-UHFFFAOYSA-N
XLogP3.35
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.79
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-aminocyclopentyl)-N-(6-chloroquinolin-8-yl)acetamide
CID 64685201
1-(aminomethyl)-N-(2,5-dichlorophenyl)cycloheptane-1-carboxamide
CID 115443708
1-(aminomethyl)-N-(3-hydroxy-2-pyridinyl)cyclohexane-1-carboxamide
CID 70056756
1-(aminomethyl)-N-(3-bromo-2-pyridinyl)cyclopentane-1-carboxamide
CID 115435354
3-amino-N-(6-chloroquinolin-8-yl)pyridine-2-carboxamide
CID 104741160
1-(aminomethyl)-N-(5-chloro-2-cyanophenyl)cyclopentane-1-carboxamide
CID 115434808
N-(6-chloroquinolin-8-yl)-2-(cyclopropylamino)acetamide
CID 60842689
2-chloro-N-(6-chloroquinolin-8-yl)propanamide
CID 43696479
N-(6-chloroquinolin-8-yl)-2-fluorobenzamide
CID 39975947
N-(6-chloroquinolin-8-yl)-5-hydroxypentanamide
CID 79199292
1-(aminomethyl)-N-[2-(dimethylamino)-3-pyridinyl]cyclobutane-1-carboxamide
CID 113311587
2-amino-N-(6-chloroquinolin-8-yl)pentanamide
CID 43698605

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-(6-chloroquinolin-8-yl)cyclopentane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-N-(6-chloroquinolin-8-yl)cyclopentane-1-carboxamide (CID 115434790) is 1-(aminomethyl)-N-(6-chloroquinolin-8-yl)cyclopentane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-N-(6-chloroquinolin-8-yl)cyclopentane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-N-(6-chloroquinolin-8-yl)cyclopentane-1-carboxamide is NCC1(C(=O)Nc2cc(Cl)cc3cccnc23)CCCC1.
What is the InChIKey of 1-(aminomethyl)-N-(6-chloroquinolin-8-yl)cyclopentane-1-carboxamide?
The InChIKey is SXFYIPNWSGOQRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O/c17-12-8-11-4-3-7-19-14(11)13(9-12)20-15(21)16(10-18)5-1-2-6-16/h3-4,7-9H,1-2,5-6,10,18H2,(H,20,21).
What are the key properties of 1-(aminomethyl)-N-(6-chloroquinolin-8-yl)cyclopentane-1-carboxamide?
1-(aminomethyl)-N-(6-chloroquinolin-8-yl)cyclopentane-1-carboxamide has a molecular weight of 303.79 g/mol, XLogP of 3.35, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-(6-chloroquinolin-8-yl)cyclopentane-1-carboxamide is sourced from PubChem (CID 115434790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).