(1-aminocyclopentyl)-(5-bromo-3,4-dihydro-1H-isoquinolin-2-yl)methanone

C15H19BrN2O — CID 119312752

IUPAC(1-aminocyclopentyl)-(5-bromo-3,4-dihydro-1H-isoquinolin-2-yl)methanone
SMILESNC1(C(=O)N2CCc3c(Br)cccc3C2)CCCC1
InChIInChI=1S/C15H19BrN2O/c16-13-5-3-4-11-10-18(9-6-12(11)13)14(19)15(17)7-1-2-8-15/h3-5H,1-2,6-10,17H2
InChIKeyDGASCIAHVREQSU-UHFFFAOYSA-N
MW323.23 g/mol
LogP2.61
Rot. Bonds1

About (1-aminocyclopentyl)-(5-bromo-3,4-dihydro-1H-isoquinolin-2-yl)methanone

(1-aminocyclopentyl)-(5-bromo-3,4-dihydro-1H-isoquinolin-2-yl)methanone (PubChem CID 119312752) has the molecular formula C15H19BrN2O and a molecular weight of 323.23 g/mol. Its IUPAC name is (1-aminocyclopentyl)-(5-bromo-3,4-dihydro-1H-isoquinolin-2-yl)methanone.

Molecular Properties

Compound Name(1-aminocyclopentyl)-(5-bromo-3,4-dihydro-1H-isoquinolin-2-yl)methanone
PubChem CID119312752
Molecular FormulaC15H19BrN2O
Molecular Weight323.23 g/mol
Exact Mass322.07
IUPAC Name(1-aminocyclopentyl)-(5-bromo-3,4-dihydro-1H-isoquinolin-2-yl)methanone
SMILESNC1(C(=O)N2CCc3c(Br)cccc3C2)CCCC1
InChIInChI=1S/C15H19BrN2O/c16-13-5-3-4-11-10-18(9-6-12(11)13)14(19)15(17)7-1-2-8-15/h3-5H,1-2,6-10,17H2
InChIKeyDGASCIAHVREQSU-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

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Frequently Asked Questions

What is the IUPAC name of (1-aminocyclopentyl)-(5-bromo-3,4-dihydro-1H-isoquinolin-2-yl)methanone?
The IUPAC name of (1-aminocyclopentyl)-(5-bromo-3,4-dihydro-1H-isoquinolin-2-yl)methanone (CID 119312752) is (1-aminocyclopentyl)-(5-bromo-3,4-dihydro-1H-isoquinolin-2-yl)methanone.
What is the SMILES notation for (1-aminocyclopentyl)-(5-bromo-3,4-dihydro-1H-isoquinolin-2-yl)methanone?
The canonical SMILES for (1-aminocyclopentyl)-(5-bromo-3,4-dihydro-1H-isoquinolin-2-yl)methanone is NC1(C(=O)N2CCc3c(Br)cccc3C2)CCCC1.
What is the InChIKey of (1-aminocyclopentyl)-(5-bromo-3,4-dihydro-1H-isoquinolin-2-yl)methanone?
The InChIKey is DGASCIAHVREQSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN2O/c16-13-5-3-4-11-10-18(9-6-12(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)-(5-bromo-3,4-dihydro-1H-isoquinolin-2-yl)methanone?
(1-aminocyclopentyl)-(5-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)-(5-bromo-3,4-dihydro-1H-isoquinolin-2-yl)methanone is sourced from PubChem (CID 119312752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).