(2-bromo-3-pyridinyl)-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone

C16H15BrN2O — CID 103756393

IUPAC(2-bromo-3-pyridinyl)-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESCc1cccc2c1N(C(=O)c1cccnc1Br)CCC2
InChIInChI=1S/C16H15BrN2O/c1-11-5-2-6-12-7-4-10-19(14(11)12)16(20)13-8-3-9-18-15(13)17/h2-3,5-6,8-9H,4,7,10H2,1H3
InChIKeyWEYAUIYRRQFHKP-UHFFFAOYSA-N
MW331.21 g/mol
LogP3.75
Rot. Bonds1

About (2-bromo-3-pyridinyl)-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone

(2-bromo-3-pyridinyl)-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone (PubChem CID 103756393) has the molecular formula C16H15BrN2O and a molecular weight of 331.21 g/mol. Its IUPAC name is (2-bromo-3-pyridinyl)-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone.

Molecular Properties

Compound Name(2-bromo-3-pyridinyl)-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
PubChem CID103756393
Molecular FormulaC16H15BrN2O
Molecular Weight331.21 g/mol
Exact Mass330.04
IUPAC Name(2-bromo-3-pyridinyl)-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESCc1cccc2c1N(C(=O)c1cccnc1Br)CCC2
InChIInChI=1S/C16H15BrN2O/c1-11-5-2-6-12-7-4-10-19(14(11)12)16(20)13-8-3-9-18-15(13)17/h2-3,5-6,8-9H,4,7,10H2,1H3
InChIKeyWEYAUIYRRQFHKP-UHFFFAOYSA-N
XLogP3.75
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 ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2,4-dibromophenyl)-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 107951713
(5-bromo-2-fluorophenyl)-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 60704859
(2-chlorofuran-3-yl)-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 106685630
(4-chloro-6-methyl-3-pyridinyl)-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 81229573
(5-amino-2-methylphenyl)-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 61290980
2,3-dihydro-1,4-benzodioxin-5-yl-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 60596592
2-[(3-hydroxy-2-pyridinyl)sulfanyl]-1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 143644946
(6-bromo-8-methyl-3,4-dihydro-2H-quinolin-1-yl)-[2-(2-methoxyethoxy)-3-pyridinyl]methanone
CID 86887068
(3-bromo-2-pyridinyl)-(8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 107519525
(2-amino-4-chlorophenyl)-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 61112240
(4-amino-2-chlorophenyl)-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 61112430
(3,5-dimethyl-1,2-oxazol-4-yl)-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 47131464

Frequently Asked Questions

What is the IUPAC name of (2-bromo-3-pyridinyl)-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone?
The IUPAC name of (2-bromo-3-pyridinyl)-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone (CID 103756393) is (2-bromo-3-pyridinyl)-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone.
What is the SMILES notation for (2-bromo-3-pyridinyl)-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone?
The canonical SMILES for (2-bromo-3-pyridinyl)-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone is Cc1cccc2c1N(C(=O)c1cccnc1Br)CCC2.
What is the InChIKey of (2-bromo-3-pyridinyl)-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone?
The InChIKey is WEYAUIYRRQFHKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrN2O/c1-11-5-2-6-12-7-4-10-19(14(11)12)16(20)13-8-3-9-18-15(13)17/h2-3,5-6,8-9H,4,7,10H2,1H3.
What are the key properties of (2-bromo-3-pyridinyl)-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone?
(2-bromo-3-pyridinyl)-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone has a molecular weight of 331.21 g/mol, XLogP of 3.75, 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)-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone is sourced from PubChem (CID 103756393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).