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

C15H16BrN3 — CID 115777489

IUPAC1-[(5-bromo-2-pyridinyl)methyl]-3,4-dihydro-2H-quinolin-5-amine
SMILESNc1cccc2c1CCCN2Cc1ccc(Br)cn1
InChIInChI=1S/C15H16BrN3/c16-11-6-7-12(18-9-11)10-19-8-2-3-13-14(17)4-1-5-15(13)19/h1,4-7,9H,2-3,8,10,17H2
InChIKeyBTLVGWSBKOHBTG-UHFFFAOYSA-N
MW318.22 g/mol
LogP3.38
Rot. Bonds2

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

1-[(5-bromo-2-pyridinyl)methyl]-3,4-dihydro-2H-quinolin-5-amine (PubChem CID 115777489) 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-5-amine.

Molecular Properties

Compound Name1-[(5-bromo-2-pyridinyl)methyl]-3,4-dihydro-2H-quinolin-5-amine
PubChem CID115777489
Molecular FormulaC15H16BrN3
Molecular Weight318.22 g/mol
Exact Mass317.05
IUPAC Name1-[(5-bromo-2-pyridinyl)methyl]-3,4-dihydro-2H-quinolin-5-amine
SMILESNc1cccc2c1CCCN2Cc1ccc(Br)cn1
InChIInChI=1S/C15H16BrN3/c16-11-6-7-12(18-9-11)10-19-8-2-3-13-14(17)4-1-5-15(13)19/h1,4-7,9H,2-3,8,10,17H2
InChIKeyBTLVGWSBKOHBTG-UHFFFAOYSA-N
XLogP3.38
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 ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-(pyrimidin-2-ylmethyl)-3,4-dihydro-2H-quinolin-5-amine
CID 55108301
1-[(4-bromo-1-methylpyrazol-5-yl)methyl]-3,4-dihydro-2H-quinolin-5-amine;hydrochloride
CID 120897129
1-[(5-bromo-2-pyridinyl)methyl]-2,3-dihydroindol-6-amine
CID 104798255
1-[(1-ethylimidazol-2-yl)methyl]-3,4-dihydro-2H-quinolin-5-amine
CID 62735499
1-butyl-3,4-dihydro-2H-quinolin-5-amine
CID 60972612
N-[4-[(5-amino-3,4-dihydro-2H-quinolin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide
CID 115281590
1-[(2-chloro-3-fluorophenyl)methyl]-3,4-dihydro-2H-quinolin-5-amine
CID 115983271
1-[(5-bromo-2-pyridinyl)methyl]-2,3,4,5-tetrahydro-1,4-benzodiazepine
CID 115741374
2-(azetidin-1-ylmethyl)-5-bromopyridine
CID 105484340
1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-3,4-dihydro-2H-quinolin-5-amine
CID 60971888
1-(2-methylsulfonylethyl)-3,4-dihydro-2H-quinolin-5-amine
CID 54881503
1-[(5-bromo-2-pyridinyl)methyl]-3-methyl-1,3-diazinan-2-one
CID 171846505

Frequently Asked Questions

What is the IUPAC name of 1-[(5-bromo-2-pyridinyl)methyl]-3,4-dihydro-2H-quinolin-5-amine?
The IUPAC name of 1-[(5-bromo-2-pyridinyl)methyl]-3,4-dihydro-2H-quinolin-5-amine (CID 115777489) is 1-[(5-bromo-2-pyridinyl)methyl]-3,4-dihydro-2H-quinolin-5-amine.
What is the SMILES notation for 1-[(5-bromo-2-pyridinyl)methyl]-3,4-dihydro-2H-quinolin-5-amine?
The canonical SMILES for 1-[(5-bromo-2-pyridinyl)methyl]-3,4-dihydro-2H-quinolin-5-amine is Nc1cccc2c1CCCN2Cc1ccc(Br)cn1.
What is the InChIKey of 1-[(5-bromo-2-pyridinyl)methyl]-3,4-dihydro-2H-quinolin-5-amine?
The InChIKey is BTLVGWSBKOHBTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrN3/c16-11-6-7-12(18-9-11)10-19-8-2-3-13-14(17)4-1-5-15(13)19/h1,4-7,9H,2-3,8,10,17H2.
What are the key properties of 1-[(5-bromo-2-pyridinyl)methyl]-3,4-dihydro-2H-quinolin-5-amine?
1-[(5-bromo-2-pyridinyl)methyl]-3,4-dihydro-2H-quinolin-5-amine has a molecular weight of 318.22 g/mol, XLogP of 3.38, 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-5-amine is sourced from PubChem (CID 115777489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).