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

C16H15BrN2O — CID 103758948

IUPAC(2-bromo-3-pyridinyl)-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESCC1CCc2ccccc2N1C(=O)c1cccnc1Br
InChIInChI=1S/C16H15BrN2O/c1-11-8-9-12-5-2-3-7-14(12)19(11)16(20)13-6-4-10-18-15(13)17/h2-7,10-11H,8-9H2,1H3
InChIKeyBIPJQQHNOULFBG-UHFFFAOYSA-N
MW331.21 g/mol
LogP3.83
Rot. Bonds1

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

(2-bromo-3-pyridinyl)-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone (PubChem CID 103758948) has the molecular formula C16H15BrN2O and a molecular weight of 331.21 g/mol. Its IUPAC name is (2-bromo-3-pyridinyl)-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone.

Molecular Properties

Compound Name(2-bromo-3-pyridinyl)-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
PubChem CID103758948
Molecular FormulaC16H15BrN2O
Molecular Weight331.21 g/mol
Exact Mass330.04
IUPAC Name(2-bromo-3-pyridinyl)-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESCC1CCc2ccccc2N1C(=O)c1cccnc1Br
InChIInChI=1S/C16H15BrN2O/c1-11-8-9-12-5-2-3-7-14(12)19(11)16(20)13-6-4-10-18-15(13)17/h2-7,10-11H,8-9H2,1H3
InChIKeyBIPJQQHNOULFBG-UHFFFAOYSA-N
XLogP3.83
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.21
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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

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Related Compounds

(3-bromo-2-pyridinyl)-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 107517677
(3-bromo-2-fluorophenyl)-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 107951376
(3-fluoro-4-pyridinyl)-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 115645498
(2-bromo-3-pyridinyl)-[(2S,6R)-2,6-dimethylpiperidin-1-yl]methanone
CID 103755683
(5-amino-1H-pyrazol-4-yl)-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 43337139
[5-(methylamino)-2-pyridinyl]-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 104639658
2-bromo-2-methyl-1-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one
CID 116816888
(5-fluoro-2,4-dihydroxyphenyl)-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]methanone
CID 127024642
(2-bromo-3-pyridinyl)-(2-methylazepan-1-yl)methanone
CID 103755413
(4-amino-5-methyl-1H-pyrazol-3-yl)-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 62081386
(2-bromo-3-pyridinyl)-(2,4-dimethylpyrrolidin-1-yl)methanone
CID 103755536
(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methanone
CID 17486470

Frequently Asked Questions

What is the IUPAC name of (2-bromo-3-pyridinyl)-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone?
The IUPAC name of (2-bromo-3-pyridinyl)-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone (CID 103758948) is (2-bromo-3-pyridinyl)-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone.
What is the SMILES notation for (2-bromo-3-pyridinyl)-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone?
The canonical SMILES for (2-bromo-3-pyridinyl)-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone is CC1CCc2ccccc2N1C(=O)c1cccnc1Br.
What is the InChIKey of (2-bromo-3-pyridinyl)-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone?
The InChIKey is BIPJQQHNOULFBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrN2O/c1-11-8-9-12-5-2-3-7-14(12)19(11)16(20)13-6-4-10-18-15(13)17/h2-7,10-11H,8-9H2,1H3.
What are the key properties of (2-bromo-3-pyridinyl)-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone?
(2-bromo-3-pyridinyl)-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone has a molecular weight of 331.21 g/mol, XLogP of 3.83, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-3-pyridinyl)-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone is sourced from PubChem (CID 103758948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).