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

C18H19NO2 — CID 110709581

IUPAC(4-hydroxy-4-methyl-2,3-dihydroquinolin-1-yl)-(3-methylphenyl)methanone
SMILESCc1cccc(C(=O)N2CCC(C)(O)c3ccccc32)c1
InChIInChI=1S/C18H19NO2/c1-13-6-5-7-14(12-13)17(20)19-11-10-18(2,21)15-8-3-4-9-16(15)19/h3-9,12,21H,10-11H2,1-2H3
InChIKeyQEYIITMRKQBWQQ-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.25
Rot. Bonds1

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

(4-hydroxy-4-methyl-2,3-dihydroquinolin-1-yl)-(3-methylphenyl)methanone (PubChem CID 110709581) has the molecular formula C18H19NO2 and a molecular weight of 281.36 g/mol. Its IUPAC name is (4-hydroxy-4-methyl-2,3-dihydroquinolin-1-yl)-(3-methylphenyl)methanone.

Molecular Properties

Compound Name(4-hydroxy-4-methyl-2,3-dihydroquinolin-1-yl)-(3-methylphenyl)methanone
PubChem CID110709581
Molecular FormulaC18H19NO2
Molecular Weight281.36 g/mol
Exact Mass281.14
IUPAC Name(4-hydroxy-4-methyl-2,3-dihydroquinolin-1-yl)-(3-methylphenyl)methanone
SMILESCc1cccc(C(=O)N2CCC(C)(O)c3ccccc32)c1
InChIInChI=1S/C18H19NO2/c1-13-6-5-7-14(12-13)17(20)19-11-10-18(2,21)15-8-3-4-9-16(15)19/h3-9,12,21H,10-11H2,1-2H3
InChIKeyQEYIITMRKQBWQQ-UHFFFAOYSA-N
XLogP3.25
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-fluorophenyl)-(4-hydroxy-4-methyl-2,3-dihydroquinolin-1-yl)methanone
CID 110709583
(2-bromophenyl)-(4-hydroxy-4-methyl-2,3-dihydroquinolin-1-yl)methanone
CID 110709585
(4,4-dimethyl-2,3-dihydroquinolin-1-yl)-phenylmethanone
CID 71830919
3,4-dihydro-2H-quinolin-1-yl-(3-methylphenyl)methanone
CID 669077
(4-hydroxy-4-methyl-2,3-dihydroquinolin-1-yl)-(1,3-thiazolidin-4-yl)methanone
CID 110741432
[4-(3-methylbenzoyl)piperazin-1-yl]-phenylmethanone
CID 793254
1-(4-hydroxy-4-methyl-2,3-dihydroquinolin-1-yl)-2-(2-methoxyphenyl)ethanone
CID 110709639
azocan-1-yl-(3-methylphenyl)methanone
CID 3308040
4-hydroxy-N,N,4-trimethyl-2,3-dihydroquinoline-1-sulfonamide
CID 110709650
[3-hydroxy-3-(trifluoromethyl)-2H-pyrrolo[2,3-b]pyridin-1-yl]-(3-methylphenyl)methanone
CID 166269948
(1-methyl-3,4-dihydro-2H-[1,4]diazepino[2,3-b]quinoxalin-5-yl)-(3-methylphenyl)methanone
CID 9192955
(7-bromo-2,3-dihydro-1,4-benzoxazin-4-yl)-(3-methylphenyl)methanone
CID 84609317

Frequently Asked Questions

What is the IUPAC name of (4-hydroxy-4-methyl-2,3-dihydroquinolin-1-yl)-(3-methylphenyl)methanone?
The IUPAC name of (4-hydroxy-4-methyl-2,3-dihydroquinolin-1-yl)-(3-methylphenyl)methanone (CID 110709581) is (4-hydroxy-4-methyl-2,3-dihydroquinolin-1-yl)-(3-methylphenyl)methanone.
What is the SMILES notation for (4-hydroxy-4-methyl-2,3-dihydroquinolin-1-yl)-(3-methylphenyl)methanone?
The canonical SMILES for (4-hydroxy-4-methyl-2,3-dihydroquinolin-1-yl)-(3-methylphenyl)methanone is Cc1cccc(C(=O)N2CCC(C)(O)c3ccccc32)c1.
What is the InChIKey of (4-hydroxy-4-methyl-2,3-dihydroquinolin-1-yl)-(3-methylphenyl)methanone?
The InChIKey is QEYIITMRKQBWQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO2/c1-13-6-5-7-14(12-13)17(20)19-11-10-18(2,21)15-8-3-4-9-16(15)19/h3-9,12,21H,10-11H2,1-2H3.
What are the key properties of (4-hydroxy-4-methyl-2,3-dihydroquinolin-1-yl)-(3-methylphenyl)methanone?
(4-hydroxy-4-methyl-2,3-dihydroquinolin-1-yl)-(3-methylphenyl)methanone has a molecular weight of 281.36 g/mol, XLogP of 3.25, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxy-4-methyl-2,3-dihydroquinolin-1-yl)-(3-methylphenyl)methanone is sourced from PubChem (CID 110709581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).