(3-aminocyclohexyl)-(2-methylquinolin-6-yl)methanone

C17H20N2O — CID 116568855

IUPAC(3-aminocyclohexyl)-(2-methylquinolin-6-yl)methanone
SMILESCc1ccc2cc(C(=O)C3CCCC(N)C3)ccc2n1
InChIInChI=1S/C17H20N2O/c1-11-5-6-12-9-14(7-8-16(12)19-11)17(20)13-3-2-4-15(18)10-13/h5-9,13,15H,2-4,10,18H2,1H3
InChIKeyGJBNYOFKTZSPNO-UHFFFAOYSA-N
MW268.36 g/mol
LogP3.24
Rot. Bonds2

About (3-aminocyclohexyl)-(2-methylquinolin-6-yl)methanone

(3-aminocyclohexyl)-(2-methylquinolin-6-yl)methanone (PubChem CID 116568855) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is (3-aminocyclohexyl)-(2-methylquinolin-6-yl)methanone.

Molecular Properties

Compound Name(3-aminocyclohexyl)-(2-methylquinolin-6-yl)methanone
PubChem CID116568855
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC Name(3-aminocyclohexyl)-(2-methylquinolin-6-yl)methanone
SMILESCc1ccc2cc(C(=O)C3CCCC(N)C3)ccc2n1
InChIInChI=1S/C17H20N2O/c1-11-5-6-12-9-14(7-8-16(12)19-11)17(20)13-3-2-4-15(18)10-13/h5-9,13,15H,2-4,10,18H2,1H3
InChIKeyGJBNYOFKTZSPNO-UHFFFAOYSA-N
XLogP3.24
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-aminocyclohexyl)-(2-methylquinolin-6-yl)methanone?
The IUPAC name of (3-aminocyclohexyl)-(2-methylquinolin-6-yl)methanone (CID 116568855) is (3-aminocyclohexyl)-(2-methylquinolin-6-yl)methanone.
What is the SMILES notation for (3-aminocyclohexyl)-(2-methylquinolin-6-yl)methanone?
The canonical SMILES for (3-aminocyclohexyl)-(2-methylquinolin-6-yl)methanone is Cc1ccc2cc(C(=O)C3CCCC(N)C3)ccc2n1.
What is the InChIKey of (3-aminocyclohexyl)-(2-methylquinolin-6-yl)methanone?
The InChIKey is GJBNYOFKTZSPNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c1-11-5-6-12-9-14(7-8-16(12)19-11)17(20)13-3-2-4-15(18)10-13/h5-9,13,15H,2-4,10,18H2,1H3.
What are the key properties of (3-aminocyclohexyl)-(2-methylquinolin-6-yl)methanone?
(3-aminocyclohexyl)-(2-methylquinolin-6-yl)methanone has a molecular weight of 268.36 g/mol, XLogP of 3.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminocyclohexyl)-(2-methylquinolin-6-yl)methanone is sourced from PubChem (CID 116568855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).