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

C18H15BrN2 — CID 68914486

IUPAC6-bromo-N-(2,3-dihydro-1H-inden-1-yl)quinolin-2-amine
SMILESBrc1ccc2nc(NC3CCc4ccccc43)ccc2c1
InChIInChI=1S/C18H15BrN2/c19-14-7-9-16-13(11-14)6-10-18(20-16)21-17-8-5-12-3-1-2-4-15(12)17/h1-4,6-7,9-11,17H,5,8H2,(H,20,21)
InChIKeyMFUMIHFSEKMAPL-UHFFFAOYSA-N
MW339.24 g/mol
LogP5.10
Rot. Bonds2

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

6-bromo-N-(2,3-dihydro-1H-inden-1-yl)quinolin-2-amine (PubChem CID 68914486) has the molecular formula C18H15BrN2 and a molecular weight of 339.24 g/mol. Its IUPAC name is 6-bromo-N-(2,3-dihydro-1H-inden-1-yl)quinolin-2-amine.

Molecular Properties

Compound Name6-bromo-N-(2,3-dihydro-1H-inden-1-yl)quinolin-2-amine
PubChem CID68914486
Molecular FormulaC18H15BrN2
Molecular Weight339.24 g/mol
Exact Mass338.04
IUPAC Name6-bromo-N-(2,3-dihydro-1H-inden-1-yl)quinolin-2-amine
SMILESBrc1ccc2nc(NC3CCc4ccccc43)ccc2c1
InChIInChI=1S/C18H15BrN2/c19-14-7-9-16-13(11-14)6-10-18(20-16)21-17-8-5-12-3-1-2-4-15(12)17/h1-4,6-7,9-11,17H,5,8H2,(H,20,21)
InChIKeyMFUMIHFSEKMAPL-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 6-bromo-N-(2,3-dihydro-1H-inden-1-yl)quinolin-2-amine?
The IUPAC name of 6-bromo-N-(2,3-dihydro-1H-inden-1-yl)quinolin-2-amine (CID 68914486) is 6-bromo-N-(2,3-dihydro-1H-inden-1-yl)quinolin-2-amine.
What is the SMILES notation for 6-bromo-N-(2,3-dihydro-1H-inden-1-yl)quinolin-2-amine?
The canonical SMILES for 6-bromo-N-(2,3-dihydro-1H-inden-1-yl)quinolin-2-amine is Brc1ccc2nc(NC3CCc4ccccc43)ccc2c1.
What is the InChIKey of 6-bromo-N-(2,3-dihydro-1H-inden-1-yl)quinolin-2-amine?
The InChIKey is MFUMIHFSEKMAPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BrN2/c19-14-7-9-16-13(11-14)6-10-18(20-16)21-17-8-5-12-3-1-2-4-15(12)17/h1-4,6-7,9-11,17H,5,8H2,(H,20,21).
What are the key properties of 6-bromo-N-(2,3-dihydro-1H-inden-1-yl)quinolin-2-amine?
6-bromo-N-(2,3-dihydro-1H-inden-1-yl)quinolin-2-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 6-bromo-N-(2,3-dihydro-1H-inden-1-yl)quinolin-2-amine is sourced from PubChem (CID 68914486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).