4-amino-N-[(6-chloroquinolin-2-yl)methyl]cyclohexane-1-carboxamide

C17H20ClN3O — CID 166158842

IUPAC4-amino-N-[(6-chloroquinolin-2-yl)methyl]cyclohexane-1-carboxamide
SMILESNC1CCC(C(=O)NCc2ccc3cc(Cl)ccc3n2)CC1
InChIInChI=1S/C17H20ClN3O/c18-13-4-8-16-12(9-13)3-7-15(21-16)10-20-17(22)11-1-5-14(19)6-2-11/h3-4,7-9,11,14H,1-2,5-6,10,19H2,(H,20,22)
InChIKeyOSAGKHHIJOZHGQ-UHFFFAOYSA-N
MW317.82 g/mol
LogP3.02
Rot. Bonds3

About 4-amino-N-[(6-chloroquinolin-2-yl)methyl]cyclohexane-1-carboxamide

4-amino-N-[(6-chloroquinolin-2-yl)methyl]cyclohexane-1-carboxamide (PubChem CID 166158842) has the molecular formula C17H20ClN3O and a molecular weight of 317.82 g/mol. Its IUPAC name is 4-amino-N-[(6-chloroquinolin-2-yl)methyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-amino-N-[(6-chloroquinolin-2-yl)methyl]cyclohexane-1-carboxamide
PubChem CID166158842
Molecular FormulaC17H20ClN3O
Molecular Weight317.82 g/mol
Exact Mass317.13
IUPAC Name4-amino-N-[(6-chloroquinolin-2-yl)methyl]cyclohexane-1-carboxamide
SMILESNC1CCC(C(=O)NCc2ccc3cc(Cl)ccc3n2)CC1
InChIInChI=1S/C17H20ClN3O/c18-13-4-8-16-12(9-13)3-7-15(21-16)10-20-17(22)11-1-5-14(19)6-2-11/h3-4,7-9,11,14H,1-2,5-6,10,19H2,(H,20,22)
InChIKeyOSAGKHHIJOZHGQ-UHFFFAOYSA-N
XLogP3.02
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.82
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-N-(6-chloroquinolin-2-yl)piperidine-4-carboxamide
CID 166158823
N-[2-(quinolin-2-ylmethylamino)ethyl]cyclopropanecarboxamide
CID 115573545
4-amino-N-(2,4-dichlorophenyl)cyclohexane-1-carboxamide
CID 54928746
3-amino-N-[2-(5-chloro-1,3-benzothiazol-2-yl)ethyl]cyclopentane-1-carboxamide
CID 119698351
4-amino-N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)cyclohexane-1-carboxamide
CID 60850857
[4-[(6-chloro-1H-benzimidazol-2-yl)methylcarbamoyl]cyclohexyl]carbamic acid
CID 155256233
1-(4-aminocyclohexyl)-2-(2,4-dichlorophenyl)ethanone
CID 116557220
N-[(6-methyl-2-pyridinyl)methyl]cyclopropanecarboxamide
CID 61150907
4-amino-N-(5-chloro-2-methylphenyl)cyclohexane-1-carboxamide
CID 54928602
2-bromoethyl 5-chloro-2-[(cyclopropanecarbonylamino)methyl]benzoate
CID 174483377
cis-(1R,3S)-3-[(6-chloro-1H-benzimidazol-2-yl)methylcarbamoyl]cyclopentane-1-carboxylic acid
CID 118769244
6-chloro-2-(fluoromethyl)quinoline
CID 162400997

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(6-chloroquinolin-2-yl)methyl]cyclohexane-1-carboxamide?
The IUPAC name of 4-amino-N-[(6-chloroquinolin-2-yl)methyl]cyclohexane-1-carboxamide (CID 166158842) is 4-amino-N-[(6-chloroquinolin-2-yl)methyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 4-amino-N-[(6-chloroquinolin-2-yl)methyl]cyclohexane-1-carboxamide?
The canonical SMILES for 4-amino-N-[(6-chloroquinolin-2-yl)methyl]cyclohexane-1-carboxamide is NC1CCC(C(=O)NCc2ccc3cc(Cl)ccc3n2)CC1.
What is the InChIKey of 4-amino-N-[(6-chloroquinolin-2-yl)methyl]cyclohexane-1-carboxamide?
The InChIKey is OSAGKHHIJOZHGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3O/c18-13-4-8-16-12(9-13)3-7-15(21-16)10-20-17(22)11-1-5-14(19)6-2-11/h3-4,7-9,11,14H,1-2,5-6,10,19H2,(H,20,22).
What are the key properties of 4-amino-N-[(6-chloroquinolin-2-yl)methyl]cyclohexane-1-carboxamide?
4-amino-N-[(6-chloroquinolin-2-yl)methyl]cyclohexane-1-carboxamide has a molecular weight of 317.82 g/mol, XLogP of 3.02, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(6-chloroquinolin-2-yl)methyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 166158842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).