(3-amino-3,4-dihydro-2H-quinolin-1-yl)-(3-bromo-2-pyridinyl)methanone

C15H14BrN3O — CID 107520064

IUPAC(3-amino-3,4-dihydro-2H-quinolin-1-yl)-(3-bromo-2-pyridinyl)methanone
SMILESNC1Cc2ccccc2N(C(=O)c2ncccc2Br)C1
InChIInChI=1S/C15H14BrN3O/c16-12-5-3-7-18-14(12)15(20)19-9-11(17)8-10-4-1-2-6-13(10)19/h1-7,11H,8-9,17H2
InChIKeyDXIMZQNOXKXSTC-UHFFFAOYSA-N
MW332.20 g/mol
LogP2.37
Rot. Bonds1

About (3-amino-3,4-dihydro-2H-quinolin-1-yl)-(3-bromo-2-pyridinyl)methanone

(3-amino-3,4-dihydro-2H-quinolin-1-yl)-(3-bromo-2-pyridinyl)methanone (PubChem CID 107520064) has the molecular formula C15H14BrN3O and a molecular weight of 332.20 g/mol. Its IUPAC name is (3-amino-3,4-dihydro-2H-quinolin-1-yl)-(3-bromo-2-pyridinyl)methanone.

Molecular Properties

Compound Name(3-amino-3,4-dihydro-2H-quinolin-1-yl)-(3-bromo-2-pyridinyl)methanone
PubChem CID107520064
Molecular FormulaC15H14BrN3O
Molecular Weight332.20 g/mol
Exact Mass331.03
IUPAC Name(3-amino-3,4-dihydro-2H-quinolin-1-yl)-(3-bromo-2-pyridinyl)methanone
SMILESNC1Cc2ccccc2N(C(=O)c2ncccc2Br)C1
InChIInChI=1S/C15H14BrN3O/c16-12-5-3-7-18-14(12)15(20)19-9-11(17)8-10-4-1-2-6-13(10)19/h1-7,11H,8-9,17H2
InChIKeyDXIMZQNOXKXSTC-UHFFFAOYSA-N
XLogP2.37
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.20
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3-amino-3,4-dihydro-2H-quinolin-1-yl)-(3-bromo-2-pyridinyl)methanone with MolForge

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Related Compounds

(3-bromo-2-pyridinyl)-(2,3-dihydroindol-1-yl)methanone
CID 107517784
(3-amino-3,4-dihydro-2H-quinolin-1-yl)-(2-methyl-4-pyridinyl)methanone
CID 106753653
(3-amino-3,4-dihydro-2H-quinolin-1-yl)-(2-bromofuran-3-yl)methanone
CID 106855124
1-(3-amino-3,4-dihydro-2H-quinolin-1-yl)-2,2-difluoroethanone
CID 103514183
(3-bromo-2-pyridinyl)-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 107517677
(3-amino-3,4-dihydro-2H-quinolin-1-yl)-(5-methylfuran-3-yl)methanone
CID 114821989
(3-amino-3,4-dihydro-2H-quinolin-1-yl)-(4-hydroxy-3-methylphenyl)methanone
CID 107672090
(3-bromo-2-pyridinyl)-(3,4-dihydro-2H-1,5-benzoxazepin-5-yl)methanone
CID 107519275
1-(3-bromopyridine-2-carbonyl)imidazolidin-2-one
CID 107518186
(3-amino-3,4-dihydro-2H-quinolin-1-yl)-(6-methylimidazo[1,2-a]pyridin-2-yl)methanone
CID 167937529
(3-amino-3,4-dihydro-2H-quinolin-1-yl)-(2-chloro-4-methylphenyl)methanone
CID 106862190
3-(3-amino-3,4-dihydro-2H-quinoline-1-carbonyl)-6-methyl-1H-pyridin-2-one
CID 104772854

Frequently Asked Questions

What is the IUPAC name of (3-amino-3,4-dihydro-2H-quinolin-1-yl)-(3-bromo-2-pyridinyl)methanone?
The IUPAC name of (3-amino-3,4-dihydro-2H-quinolin-1-yl)-(3-bromo-2-pyridinyl)methanone (CID 107520064) is (3-amino-3,4-dihydro-2H-quinolin-1-yl)-(3-bromo-2-pyridinyl)methanone.
What is the SMILES notation for (3-amino-3,4-dihydro-2H-quinolin-1-yl)-(3-bromo-2-pyridinyl)methanone?
The canonical SMILES for (3-amino-3,4-dihydro-2H-quinolin-1-yl)-(3-bromo-2-pyridinyl)methanone is NC1Cc2ccccc2N(C(=O)c2ncccc2Br)C1.
What is the InChIKey of (3-amino-3,4-dihydro-2H-quinolin-1-yl)-(3-bromo-2-pyridinyl)methanone?
The InChIKey is DXIMZQNOXKXSTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrN3O/c16-12-5-3-7-18-14(12)15(20)19-9-11(17)8-10-4-1-2-6-13(10)19/h1-7,11H,8-9,17H2.
What are the key properties of (3-amino-3,4-dihydro-2H-quinolin-1-yl)-(3-bromo-2-pyridinyl)methanone?
(3-amino-3,4-dihydro-2H-quinolin-1-yl)-(3-bromo-2-pyridinyl)methanone has a molecular weight of 332.20 g/mol, XLogP of 2.37, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-3,4-dihydro-2H-quinolin-1-yl)-(3-bromo-2-pyridinyl)methanone is sourced from PubChem (CID 107520064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).