N-(2-aminocyclohexyl)-2-methylquinoline-4-carboxamide

C17H21N3O — CID 61038363

IUPACN-(2-aminocyclohexyl)-2-methylquinoline-4-carboxamide
SMILESCc1cc(C(=O)NC2CCCCC2N)c2ccccc2n1
InChIInChI=1S/C17H21N3O/c1-11-10-13(12-6-2-4-8-15(12)19-11)17(21)20-16-9-5-3-7-14(16)18/h2,4,6,8,10,14,16H,3,5,7,9,18H2,1H3,(H,20,21)
InChIKeyAJKWVEWFKRRWJO-UHFFFAOYSA-N
MW283.38 g/mol
LogP2.54
Rot. Bonds2

About N-(2-aminocyclohexyl)-2-methylquinoline-4-carboxamide

N-(2-aminocyclohexyl)-2-methylquinoline-4-carboxamide (PubChem CID 61038363) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is N-(2-aminocyclohexyl)-2-methylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-(2-aminocyclohexyl)-2-methylquinoline-4-carboxamide
PubChem CID61038363
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC NameN-(2-aminocyclohexyl)-2-methylquinoline-4-carboxamide
SMILESCc1cc(C(=O)NC2CCCCC2N)c2ccccc2n1
InChIInChI=1S/C17H21N3O/c1-11-10-13(12-6-2-4-8-15(12)19-11)17(21)20-16-9-5-3-7-14(16)18/h2,4,6,8,10,14,16H,3,5,7,9,18H2,1H3,(H,20,21)
InChIKeyAJKWVEWFKRRWJO-UHFFFAOYSA-N
XLogP2.54
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminocyclohexyl)-2-methylquinoline-4-carboxamide?
The IUPAC name of N-(2-aminocyclohexyl)-2-methylquinoline-4-carboxamide (CID 61038363) is N-(2-aminocyclohexyl)-2-methylquinoline-4-carboxamide.
What is the SMILES notation for N-(2-aminocyclohexyl)-2-methylquinoline-4-carboxamide?
The canonical SMILES for N-(2-aminocyclohexyl)-2-methylquinoline-4-carboxamide is Cc1cc(C(=O)NC2CCCCC2N)c2ccccc2n1.
What is the InChIKey of N-(2-aminocyclohexyl)-2-methylquinoline-4-carboxamide?
The InChIKey is AJKWVEWFKRRWJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-11-10-13(12-6-2-4-8-15(12)19-11)17(21)20-16-9-5-3-7-14(16)18/h2,4,6,8,10,14,16H,3,5,7,9,18H2,1H3,(H,20,21).
What are the key properties of N-(2-aminocyclohexyl)-2-methylquinoline-4-carboxamide?
N-(2-aminocyclohexyl)-2-methylquinoline-4-carboxamide has a molecular weight of 283.38 g/mol, XLogP of 2.54, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminocyclohexyl)-2-methylquinoline-4-carboxamide is sourced from PubChem (CID 61038363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).