(5-bromo-2-methylphenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone

C17H16BrNO — CID 65307202

IUPAC(5-bromo-2-methylphenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESCc1ccc(Br)cc1C(=O)N1CCCc2ccccc21
InChIInChI=1S/C17H16BrNO/c1-12-8-9-14(18)11-15(12)17(20)19-10-4-6-13-5-2-3-7-16(13)19/h2-3,5,7-9,11H,4,6,10H2,1H3
InChIKeyTYEPVCHKJRECAN-UHFFFAOYSA-N
MW330.23 g/mol
LogP4.35
Rot. Bonds1

About (5-bromo-2-methylphenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone

(5-bromo-2-methylphenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone (PubChem CID 65307202) has the molecular formula C17H16BrNO and a molecular weight of 330.23 g/mol. Its IUPAC name is (5-bromo-2-methylphenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone.

Molecular Properties

Compound Name(5-bromo-2-methylphenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone
PubChem CID65307202
Molecular FormulaC17H16BrNO
Molecular Weight330.23 g/mol
Exact Mass329.04
IUPAC Name(5-bromo-2-methylphenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESCc1ccc(Br)cc1C(=O)N1CCCc2ccccc21
InChIInChI=1S/C17H16BrNO/c1-12-8-9-14(18)11-15(12)17(20)19-10-4-6-13-5-2-3-7-16(13)19/h2-3,5,7-9,11H,4,6,10H2,1H3
InChIKeyTYEPVCHKJRECAN-UHFFFAOYSA-N
XLogP4.35
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.23
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

[5-bromo-2-(2,5-dimethylpyrrol-1-yl)phenyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 25181238
(4-bromo-2-sulfanylphenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 107021560
(4-bromo-2-sulfanylphenyl)-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)methanone
CID 107031391
3,4-dihydro-2H-quinolin-1-yl-(3,4-dimethylphenyl)methanone
CID 776290
3,4-dihydro-2H-quinolin-1-yl-(2,3-dimethylphenyl)methanone
CID 47097545
(6-amino-2,3-dihydroindol-1-yl)-(5-bromo-2-methylphenyl)methanone
CID 65306128
(3-chloro-4-methylphenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 806851
3,4-dihydro-2H-quinolin-1-yl-(3-hydroxy-2-methylphenyl)methanone
CID 82829947
(5-bromo-2-fluorophenyl)-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 60704859
(5-amino-3,4-dihydro-2H-quinolin-1-yl)-(4-bromo-2-methylphenyl)methanone
CID 82711971
(2,4-dibromophenyl)-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 107951713
3,4-dihydro-2H-quinolin-1-yl-(3-methoxy-4-methylphenyl)methanone
CID 51229053

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-methylphenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone?
The IUPAC name of (5-bromo-2-methylphenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone (CID 65307202) is (5-bromo-2-methylphenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone.
What is the SMILES notation for (5-bromo-2-methylphenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone?
The canonical SMILES for (5-bromo-2-methylphenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone is Cc1ccc(Br)cc1C(=O)N1CCCc2ccccc21.
What is the InChIKey of (5-bromo-2-methylphenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone?
The InChIKey is TYEPVCHKJRECAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrNO/c1-12-8-9-14(18)11-15(12)17(20)19-10-4-6-13-5-2-3-7-16(13)19/h2-3,5,7-9,11H,4,6,10H2,1H3.
What are the key properties of (5-bromo-2-methylphenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone?
(5-bromo-2-methylphenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone has a molecular weight of 330.23 g/mol, XLogP of 4.35, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-methylphenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone is sourced from PubChem (CID 65307202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).