(2-bromophenyl)-(4-hydroxy-4-methyl-2,3-dihydroquinolin-1-yl)methanone

C17H16BrNO2 — CID 110709585

IUPAC(2-bromophenyl)-(4-hydroxy-4-methyl-2,3-dihydroquinolin-1-yl)methanone
SMILESCC1(O)CCN(C(=O)c2ccccc2Br)c2ccccc21
InChIInChI=1S/C17H16BrNO2/c1-17(21)10-11-19(15-9-5-3-7-13(15)17)16(20)12-6-2-4-8-14(12)18/h2-9,21H,10-11H2,1H3
InChIKeyMSNANNSYRKHYDD-UHFFFAOYSA-N
MW346.22 g/mol
LogP3.71
Rot. Bonds1

About (2-bromophenyl)-(4-hydroxy-4-methyl-2,3-dihydroquinolin-1-yl)methanone

(2-bromophenyl)-(4-hydroxy-4-methyl-2,3-dihydroquinolin-1-yl)methanone (PubChem CID 110709585) has the molecular formula C17H16BrNO2 and a molecular weight of 346.22 g/mol. Its IUPAC name is (2-bromophenyl)-(4-hydroxy-4-methyl-2,3-dihydroquinolin-1-yl)methanone.

Molecular Properties

Compound Name(2-bromophenyl)-(4-hydroxy-4-methyl-2,3-dihydroquinolin-1-yl)methanone
PubChem CID110709585
Molecular FormulaC17H16BrNO2
Molecular Weight346.22 g/mol
Exact Mass345.04
IUPAC Name(2-bromophenyl)-(4-hydroxy-4-methyl-2,3-dihydroquinolin-1-yl)methanone
SMILESCC1(O)CCN(C(=O)c2ccccc2Br)c2ccccc21
InChIInChI=1S/C17H16BrNO2/c1-17(21)10-11-19(15-9-5-3-7-13(15)17)16(20)12-6-2-4-8-14(12)18/h2-9,21H,10-11H2,1H3
InChIKeyMSNANNSYRKHYDD-UHFFFAOYSA-N
XLogP3.71
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.22
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-hydroxy-4-methyl-2,3-dihydroquinolin-1-yl)-(3-methylphenyl)methanone
CID 110709581
(3-fluorophenyl)-(4-hydroxy-4-methyl-2,3-dihydroquinolin-1-yl)methanone
CID 110709583
1-(2-bromobenzoyl)-3,4-dihydro-2H-1-benzazepin-5-one
CID 114336539
(4,4-dimethyl-2,3-dihydroquinolin-1-yl)-phenylmethanone
CID 71830919
(4-hydroxy-4-methyl-2,3-dihydroquinolin-1-yl)-(1,3-thiazolidin-4-yl)methanone
CID 110741432
1-(4-hydroxy-4-methyl-2,3-dihydroquinolin-1-yl)-2-(2-methoxyphenyl)ethanone
CID 110709639
(2-bromophenyl)-(1-methyl-4,10-dihydropyrazolo[4,5-c][1,5]benzodiazepin-5-yl)methanone
CID 137293868
(2-bromophenyl)-(3,3-dimethylazetidin-1-yl)methanone
CID 130958890
N-(3-chlorophenyl)-4-hydroxy-4-methyl-2,3-dihydroquinoline-1-carboxamide
CID 110746972
4-hydroxy-N,N,4-trimethyl-2,3-dihydroquinoline-1-sulfonamide
CID 110709650
(2-bromophenyl)-(5-hydroxy-3,5-dimethyl-4H-pyrazol-1-yl)methanone
CID 134088480
(2-bromophenyl)-(1-methyl-4,10-dihydropyrazolo[4,5-c][1]benzazepin-5-yl)methanone
CID 159598165

Frequently Asked Questions

What is the IUPAC name of (2-bromophenyl)-(4-hydroxy-4-methyl-2,3-dihydroquinolin-1-yl)methanone?
The IUPAC name of (2-bromophenyl)-(4-hydroxy-4-methyl-2,3-dihydroquinolin-1-yl)methanone (CID 110709585) is (2-bromophenyl)-(4-hydroxy-4-methyl-2,3-dihydroquinolin-1-yl)methanone.
What is the SMILES notation for (2-bromophenyl)-(4-hydroxy-4-methyl-2,3-dihydroquinolin-1-yl)methanone?
The canonical SMILES for (2-bromophenyl)-(4-hydroxy-4-methyl-2,3-dihydroquinolin-1-yl)methanone is CC1(O)CCN(C(=O)c2ccccc2Br)c2ccccc21.
What is the InChIKey of (2-bromophenyl)-(4-hydroxy-4-methyl-2,3-dihydroquinolin-1-yl)methanone?
The InChIKey is MSNANNSYRKHYDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrNO2/c1-17(21)10-11-19(15-9-5-3-7-13(15)17)16(20)12-6-2-4-8-14(12)18/h2-9,21H,10-11H2,1H3.
What are the key properties of (2-bromophenyl)-(4-hydroxy-4-methyl-2,3-dihydroquinolin-1-yl)methanone?
(2-bromophenyl)-(4-hydroxy-4-methyl-2,3-dihydroquinolin-1-yl)methanone has a molecular weight of 346.22 g/mol, XLogP of 3.71, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromophenyl)-(4-hydroxy-4-methyl-2,3-dihydroquinolin-1-yl)methanone is sourced from PubChem (CID 110709585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).