(2-aminocycloheptyl)-(2-methylquinolin-6-yl)methanone

C18H22N2O — CID 116595188

IUPAC(2-aminocycloheptyl)-(2-methylquinolin-6-yl)methanone
SMILESCc1ccc2cc(C(=O)C3CCCCCC3N)ccc2n1
InChIInChI=1S/C18H22N2O/c1-12-7-8-13-11-14(9-10-17(13)20-12)18(21)15-5-3-2-4-6-16(15)19/h7-11,15-16H,2-6,19H2,1H3
InChIKeyNTWWGXCREXDZBU-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.63
Rot. Bonds2

About (2-aminocycloheptyl)-(2-methylquinolin-6-yl)methanone

(2-aminocycloheptyl)-(2-methylquinolin-6-yl)methanone (PubChem CID 116595188) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is (2-aminocycloheptyl)-(2-methylquinolin-6-yl)methanone.

Molecular Properties

Compound Name(2-aminocycloheptyl)-(2-methylquinolin-6-yl)methanone
PubChem CID116595188
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Name(2-aminocycloheptyl)-(2-methylquinolin-6-yl)methanone
SMILESCc1ccc2cc(C(=O)C3CCCCCC3N)ccc2n1
InChIInChI=1S/C18H22N2O/c1-12-7-8-13-11-14(9-10-17(13)20-12)18(21)15-5-3-2-4-6-16(15)19/h7-11,15-16H,2-6,19H2,1H3
InChIKeyNTWWGXCREXDZBU-UHFFFAOYSA-N
XLogP3.63
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-aminocyclohexyl)-(2-methylquinolin-6-yl)methanone
CID 116568855
(2-aminocyclopentyl)-naphthalen-2-ylmethanone
CID 116580184
[4-(aminomethyl)cyclohexyl]-(2-methylquinolin-6-yl)methanone
CID 116592386
(1,1-dioxothiolan-3-yl)-(2-methylquinolin-6-yl)methanone
CID 115336329
(2-aminocycloheptyl)-(4-tert-butylphenyl)methanone
CID 116595307
[1-(aminomethyl)cyclohexyl]-(2-methylquinolin-6-yl)methanone
CID 116600622
[4-(methylamino)oxolan-3-yl]-(2-methylquinolin-6-yl)methanone
CID 116561386
(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-(2-methylquinolin-6-yl)methanone
CID 171948645
2-cyclobutyl-1-(2-methylquinolin-6-yl)ethanone
CID 103168015
2-(1-aminocyclohexyl)-1-(2-methylquinolin-6-yl)ethanone
CID 116578986
[5-(aminomethyl)oxolan-2-yl]-(2-methylquinolin-6-yl)methanone
CID 116589142
(2-aminocycloheptyl)-(2,4-dimethylphenyl)methanone
CID 116595098

Frequently Asked Questions

What is the IUPAC name of (2-aminocycloheptyl)-(2-methylquinolin-6-yl)methanone?
The IUPAC name of (2-aminocycloheptyl)-(2-methylquinolin-6-yl)methanone (CID 116595188) is (2-aminocycloheptyl)-(2-methylquinolin-6-yl)methanone.
What is the SMILES notation for (2-aminocycloheptyl)-(2-methylquinolin-6-yl)methanone?
The canonical SMILES for (2-aminocycloheptyl)-(2-methylquinolin-6-yl)methanone is Cc1ccc2cc(C(=O)C3CCCCCC3N)ccc2n1.
What is the InChIKey of (2-aminocycloheptyl)-(2-methylquinolin-6-yl)methanone?
The InChIKey is NTWWGXCREXDZBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-12-7-8-13-11-14(9-10-17(13)20-12)18(21)15-5-3-2-4-6-16(15)19/h7-11,15-16H,2-6,19H2,1H3.
What are the key properties of (2-aminocycloheptyl)-(2-methylquinolin-6-yl)methanone?
(2-aminocycloheptyl)-(2-methylquinolin-6-yl)methanone has a molecular weight of 282.39 g/mol, XLogP of 3.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-aminocycloheptyl)-(2-methylquinolin-6-yl)methanone is sourced from PubChem (CID 116595188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).