(2-aminocycloheptyl)-isoquinolin-4-ylmethanone

C17H20N2O — CID 116595175

IUPAC(2-aminocycloheptyl)-isoquinolin-4-ylmethanone
SMILESNC1CCCCCC1C(=O)c1cncc2ccccc12
InChIInChI=1S/C17H20N2O/c18-16-9-3-1-2-8-14(16)17(20)15-11-19-10-12-6-4-5-7-13(12)15/h4-7,10-11,14,16H,1-3,8-9,18H2
InChIKeyAYTKEDBGQTWSQT-UHFFFAOYSA-N
MW268.36 g/mol
LogP3.33
Rot. Bonds2

About (2-aminocycloheptyl)-isoquinolin-4-ylmethanone

(2-aminocycloheptyl)-isoquinolin-4-ylmethanone (PubChem CID 116595175) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is (2-aminocycloheptyl)-isoquinolin-4-ylmethanone.

Molecular Properties

Compound Name(2-aminocycloheptyl)-isoquinolin-4-ylmethanone
PubChem CID116595175
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC Name(2-aminocycloheptyl)-isoquinolin-4-ylmethanone
SMILESNC1CCCCCC1C(=O)c1cncc2ccccc12
InChIInChI=1S/C17H20N2O/c18-16-9-3-1-2-8-14(16)17(20)15-11-19-10-12-6-4-5-7-13(12)15/h4-7,10-11,14,16H,1-3,8-9,18H2
InChIKeyAYTKEDBGQTWSQT-UHFFFAOYSA-N
XLogP3.33
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 ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-aminocycloheptyl)-(2-chlorophenyl)methanone
CID 116595085
(2-aminocyclohexyl)-(4-methyl-3-pyridinyl)methanone
CID 116580007
3-(isoquinoline-4-carbonyl)cyclohexan-1-one
CID 104504567
2-isoquinolin-4-ylcyclohexan-1-amine
CID 63938244
isoquinolin-4-yl-(3-methyloxolan-2-yl)methanone
CID 114971893
(2-aminocyclopentyl)-(2-chlorophenyl)methanone
CID 116580051
(2-aminocyclopentyl)-naphthalen-2-ylmethanone
CID 116580184
2-isoquinolin-4-ylcyclopentan-1-amine
CID 63938433
[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-isoquinolin-4-ylmethanone
CID 97246459
1-(isoquinoline-4-carbonyl)piperidine-2-carboxylic acid
CID 120515002
4-cyclohexylisoquinoline
CID 21394649
1-isoquinolin-4-yl-3-(oxan-2-yl)propan-1-one
CID 114971970

Frequently Asked Questions

What is the IUPAC name of (2-aminocycloheptyl)-isoquinolin-4-ylmethanone?
The IUPAC name of (2-aminocycloheptyl)-isoquinolin-4-ylmethanone (CID 116595175) is (2-aminocycloheptyl)-isoquinolin-4-ylmethanone.
What is the SMILES notation for (2-aminocycloheptyl)-isoquinolin-4-ylmethanone?
The canonical SMILES for (2-aminocycloheptyl)-isoquinolin-4-ylmethanone is NC1CCCCCC1C(=O)c1cncc2ccccc12.
What is the InChIKey of (2-aminocycloheptyl)-isoquinolin-4-ylmethanone?
The InChIKey is AYTKEDBGQTWSQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c18-16-9-3-1-2-8-14(16)17(20)15-11-19-10-12-6-4-5-7-13(12)15/h4-7,10-11,14,16H,1-3,8-9,18H2.
What are the key properties of (2-aminocycloheptyl)-isoquinolin-4-ylmethanone?
(2-aminocycloheptyl)-isoquinolin-4-ylmethanone has a molecular weight of 268.36 g/mol, XLogP of 3.33, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-aminocycloheptyl)-isoquinolin-4-ylmethanone is sourced from PubChem (CID 116595175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).