1-[(5-bromo-2-pyridinyl)methyl]-3,4-dihydro-2H-quinolin-3-amine

C15H16BrN3 — CID 104800894

IUPAC1-[(5-bromo-2-pyridinyl)methyl]-3,4-dihydro-2H-quinolin-3-amine
SMILESNC1Cc2ccccc2N(Cc2ccc(Br)cn2)C1
InChIInChI=1S/C15H16BrN3/c16-12-5-6-14(18-8-12)10-19-9-13(17)7-11-3-1-2-4-15(11)19/h1-6,8,13H,7,9-10,17H2
InChIKeyLHVPYSMMXNSOQC-UHFFFAOYSA-N
MW318.22 g/mol
LogP2.73
Rot. Bonds2

About 1-[(5-bromo-2-pyridinyl)methyl]-3,4-dihydro-2H-quinolin-3-amine

1-[(5-bromo-2-pyridinyl)methyl]-3,4-dihydro-2H-quinolin-3-amine (PubChem CID 104800894) has the molecular formula C15H16BrN3 and a molecular weight of 318.22 g/mol. Its IUPAC name is 1-[(5-bromo-2-pyridinyl)methyl]-3,4-dihydro-2H-quinolin-3-amine.

Molecular Properties

Compound Name1-[(5-bromo-2-pyridinyl)methyl]-3,4-dihydro-2H-quinolin-3-amine
PubChem CID104800894
Molecular FormulaC15H16BrN3
Molecular Weight318.22 g/mol
Exact Mass317.05
IUPAC Name1-[(5-bromo-2-pyridinyl)methyl]-3,4-dihydro-2H-quinolin-3-amine
SMILESNC1Cc2ccccc2N(Cc2ccc(Br)cn2)C1
InChIInChI=1S/C15H16BrN3/c16-12-5-6-14(18-8-12)10-19-9-13(17)7-11-3-1-2-4-15(11)19/h1-6,8,13H,7,9-10,17H2
InChIKeyLHVPYSMMXNSOQC-UHFFFAOYSA-N
XLogP2.73
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.22
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(5-bromo-2-pyridinyl)methyl]-2,3,4,5-tetrahydro-1,4-benzodiazepine
CID 115741374
1-[(2,6-dichloro-3-pyridinyl)methyl]-3,4-dihydro-2H-quinolin-3-amine
CID 106994912
1-[(5-bromo-2-pyridinyl)methyl]-N-methyl-2,3-dihydroindole-2-carboxamide
CID 154744740
6-bromo-1-(1H-imidazol-5-ylmethyl)-3,4-dihydro-2H-quinolin-3-amine
CID 18177091
2-[(5-bromo-2-pyridinyl)methyl]-3,4-dihydroisoquinolin-1-one
CID 104809284
1-benzyl-3,4-dihydro-2H-quinolin-3-amine;2,2,2-trifluoroacetic acid
CID 161163508
1-[(5-bromo-2-pyridinyl)methyl]-3,4-dihydro-2H-quinoline-4-carboxylic acid
CID 104800515
1-[(5-bromo-2-pyridinyl)methyl]-3,4-dihydro-2H-quinolin-5-amine
CID 115777489
2-[1-[(3-amino-3,4-dihydro-2H-quinolin-1-yl)methyl]cyclopropyl]acetonitrile
CID 65496770
1-[(5-bromo-2-pyridinyl)methyl]-2,3-dihydroindol-6-amine
CID 104798255
1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-3,4-dihydro-2H-quinolin-3-amine
CID 112590889
(3S)-1-hydroxy-3,4-dihydro-2H-quinolin-3-amine
CID 56971695

Frequently Asked Questions

What is the IUPAC name of 1-[(5-bromo-2-pyridinyl)methyl]-3,4-dihydro-2H-quinolin-3-amine?
The IUPAC name of 1-[(5-bromo-2-pyridinyl)methyl]-3,4-dihydro-2H-quinolin-3-amine (CID 104800894) is 1-[(5-bromo-2-pyridinyl)methyl]-3,4-dihydro-2H-quinolin-3-amine.
What is the SMILES notation for 1-[(5-bromo-2-pyridinyl)methyl]-3,4-dihydro-2H-quinolin-3-amine?
The canonical SMILES for 1-[(5-bromo-2-pyridinyl)methyl]-3,4-dihydro-2H-quinolin-3-amine is NC1Cc2ccccc2N(Cc2ccc(Br)cn2)C1.
What is the InChIKey of 1-[(5-bromo-2-pyridinyl)methyl]-3,4-dihydro-2H-quinolin-3-amine?
The InChIKey is LHVPYSMMXNSOQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrN3/c16-12-5-6-14(18-8-12)10-19-9-13(17)7-11-3-1-2-4-15(11)19/h1-6,8,13H,7,9-10,17H2.
What are the key properties of 1-[(5-bromo-2-pyridinyl)methyl]-3,4-dihydro-2H-quinolin-3-amine?
1-[(5-bromo-2-pyridinyl)methyl]-3,4-dihydro-2H-quinolin-3-amine has a molecular weight of 318.22 g/mol, XLogP of 2.73, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-bromo-2-pyridinyl)methyl]-3,4-dihydro-2H-quinolin-3-amine is sourced from PubChem (CID 104800894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).