N-(5-bromo-2,3-dihydro-1H-inden-1-yl)quinolin-6-amine

C18H15BrN2 — CID 62636485

IUPACN-(5-bromo-2,3-dihydro-1H-inden-1-yl)quinolin-6-amine
SMILESBrc1ccc2c(c1)CCC2Nc1ccc2ncccc2c1
InChIInChI=1S/C18H15BrN2/c19-14-4-6-16-12(10-14)3-7-18(16)21-15-5-8-17-13(11-15)2-1-9-20-17/h1-2,4-6,8-11,18,21H,3,7H2
InChIKeyIEAQPVSLYJHRFU-UHFFFAOYSA-N
MW339.24 g/mol
LogP5.10
Rot. Bonds2

About N-(5-bromo-2,3-dihydro-1H-inden-1-yl)quinolin-6-amine

N-(5-bromo-2,3-dihydro-1H-inden-1-yl)quinolin-6-amine (PubChem CID 62636485) has the molecular formula C18H15BrN2 and a molecular weight of 339.24 g/mol. Its IUPAC name is N-(5-bromo-2,3-dihydro-1H-inden-1-yl)quinolin-6-amine.

Molecular Properties

Compound NameN-(5-bromo-2,3-dihydro-1H-inden-1-yl)quinolin-6-amine
PubChem CID62636485
Molecular FormulaC18H15BrN2
Molecular Weight339.24 g/mol
Exact Mass338.04
IUPAC NameN-(5-bromo-2,3-dihydro-1H-inden-1-yl)quinolin-6-amine
SMILESBrc1ccc2c(c1)CCC2Nc1ccc2ncccc2c1
InChIInChI=1S/C18H15BrN2/c19-14-4-6-16-12(10-14)3-7-18(16)21-15-5-8-17-13(11-15)2-1-9-20-17/h1-2,4-6,8-11,18,21H,3,7H2
InChIKeyIEAQPVSLYJHRFU-UHFFFAOYSA-N
XLogP5.10
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.24
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2,3-dihydro-1H-inden-1-yl)quinolin-6-amine?
The IUPAC name of N-(5-bromo-2,3-dihydro-1H-inden-1-yl)quinolin-6-amine (CID 62636485) is N-(5-bromo-2,3-dihydro-1H-inden-1-yl)quinolin-6-amine.
What is the SMILES notation for N-(5-bromo-2,3-dihydro-1H-inden-1-yl)quinolin-6-amine?
The canonical SMILES for N-(5-bromo-2,3-dihydro-1H-inden-1-yl)quinolin-6-amine is Brc1ccc2c(c1)CCC2Nc1ccc2ncccc2c1.
What is the InChIKey of N-(5-bromo-2,3-dihydro-1H-inden-1-yl)quinolin-6-amine?
The InChIKey is IEAQPVSLYJHRFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BrN2/c19-14-4-6-16-12(10-14)3-7-18(16)21-15-5-8-17-13(11-15)2-1-9-20-17/h1-2,4-6,8-11,18,21H,3,7H2.
What are the key properties of N-(5-bromo-2,3-dihydro-1H-inden-1-yl)quinolin-6-amine?
N-(5-bromo-2,3-dihydro-1H-inden-1-yl)quinolin-6-amine has a molecular weight of 339.24 g/mol, XLogP of 5.10, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2,3-dihydro-1H-inden-1-yl)quinolin-6-amine is sourced from PubChem (CID 62636485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).