(1-aminocyclopentyl)-(8-bromo-3,4-dihydro-1H-isoquinolin-2-yl)methanone

C15H19BrN2O — CID 119327937

IUPAC(1-aminocyclopentyl)-(8-bromo-3,4-dihydro-1H-isoquinolin-2-yl)methanone
SMILESNC1(C(=O)N2CCc3cccc(Br)c3C2)CCCC1
InChIInChI=1S/C15H19BrN2O/c16-13-5-3-4-11-6-9-18(10-12(11)13)14(19)15(17)7-1-2-8-15/h3-5H,1-2,6-10,17H2
InChIKeyWHICCNCCLIJFDW-UHFFFAOYSA-N
MW323.23 g/mol
LogP2.61
Rot. Bonds1

About (1-aminocyclopentyl)-(8-bromo-3,4-dihydro-1H-isoquinolin-2-yl)methanone

(1-aminocyclopentyl)-(8-bromo-3,4-dihydro-1H-isoquinolin-2-yl)methanone (PubChem CID 119327937) has the molecular formula C15H19BrN2O and a molecular weight of 323.23 g/mol. Its IUPAC name is (1-aminocyclopentyl)-(8-bromo-3,4-dihydro-1H-isoquinolin-2-yl)methanone.

Molecular Properties

Compound Name(1-aminocyclopentyl)-(8-bromo-3,4-dihydro-1H-isoquinolin-2-yl)methanone
PubChem CID119327937
Molecular FormulaC15H19BrN2O
Molecular Weight323.23 g/mol
Exact Mass322.07
IUPAC Name(1-aminocyclopentyl)-(8-bromo-3,4-dihydro-1H-isoquinolin-2-yl)methanone
SMILESNC1(C(=O)N2CCc3cccc(Br)c3C2)CCCC1
InChIInChI=1S/C15H19BrN2O/c16-13-5-3-4-11-6-9-18(10-12(11)13)14(19)15(17)7-1-2-8-15/h3-5H,1-2,6-10,17H2
InChIKeyWHICCNCCLIJFDW-UHFFFAOYSA-N
XLogP2.61
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.23
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1-aminocyclopentyl)-(8-bromo-3,4-dihydro-1H-isoquinolin-2-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1-aminocyclopentyl)-(5-bromo-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 119312752
(8-bromo-3,4-dihydro-1H-isoquinolin-2-yl)-pyrrolidin-2-ylmethanone
CID 119327935
1-(8-bromo-3,4-dihydro-1H-isoquinolin-2-yl)-2-pyrrolidin-2-ylethanone
CID 119791286
5-bromo-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 128960292
(8-amino-3,4-dihydro-1H-isoquinolin-2-yl)-(2-methylthiolan-2-yl)methanone
CID 114523257
1,1,1,3,3,3-hexafluoropropan-2-yl 8-bromo-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 138619167
2-amino-1-(8-bromo-3,4-dihydro-1H-isoquinolin-2-yl)-2-(oxan-4-yl)ethanone
CID 120793838
2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl-(8-bromo-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 119327919
(2S)-2-amino-1-(8-bromo-3,4-dihydro-1H-isoquinolin-2-yl)-4-methylsulfanylbutan-1-one;hydrochloride
CID 119327932
[4-(1-aminocyclopentanecarbonyl)piperazin-1-yl]-(4-bromophenyl)methanone
CID 119309536
(1-aminocyclopentyl)-(azepan-1-yl)methanone
CID 60867017
(8-amino-3,4-dihydro-1H-isoquinolin-2-yl)-(3-bromo-2-chlorophenyl)methanone
CID 114522724

Frequently Asked Questions

What is the IUPAC name of (1-aminocyclopentyl)-(8-bromo-3,4-dihydro-1H-isoquinolin-2-yl)methanone?
The IUPAC name of (1-aminocyclopentyl)-(8-bromo-3,4-dihydro-1H-isoquinolin-2-yl)methanone (CID 119327937) is (1-aminocyclopentyl)-(8-bromo-3,4-dihydro-1H-isoquinolin-2-yl)methanone.
What is the SMILES notation for (1-aminocyclopentyl)-(8-bromo-3,4-dihydro-1H-isoquinolin-2-yl)methanone?
The canonical SMILES for (1-aminocyclopentyl)-(8-bromo-3,4-dihydro-1H-isoquinolin-2-yl)methanone is NC1(C(=O)N2CCc3cccc(Br)c3C2)CCCC1.
What is the InChIKey of (1-aminocyclopentyl)-(8-bromo-3,4-dihydro-1H-isoquinolin-2-yl)methanone?
The InChIKey is WHICCNCCLIJFDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN2O/c16-13-5-3-4-11-6-9-18(10-12(11)13)14(19)15(17)7-1-2-8-15/h3-5H,1-2,6-10,17H2.
What are the key properties of (1-aminocyclopentyl)-(8-bromo-3,4-dihydro-1H-isoquinolin-2-yl)methanone?
(1-aminocyclopentyl)-(8-bromo-3,4-dihydro-1H-isoquinolin-2-yl)methanone has a molecular weight of 323.23 g/mol, XLogP of 2.61, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-aminocyclopentyl)-(8-bromo-3,4-dihydro-1H-isoquinolin-2-yl)methanone is sourced from PubChem (CID 119327937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).