(4,4-dimethyl-2,3-dihydroquinolin-1-yl)-phenylmethanone

C18H19NO — CID 71830919

IUPAC(4,4-dimethyl-2,3-dihydroquinolin-1-yl)-phenylmethanone
SMILESCC1(C)CCN(C(=O)c2ccccc2)c2ccccc21
InChIInChI=1S/C18H19NO/c1-18(2)12-13-19(16-11-7-6-10-15(16)18)17(20)14-8-4-3-5-9-14/h3-11H,12-13H2,1-2H3
InChIKeyDKGAUJMNJLSKOB-UHFFFAOYSA-N
MW265.36 g/mol
LogP4.01
Rot. Bonds1

About (4,4-dimethyl-2,3-dihydroquinolin-1-yl)-phenylmethanone

(4,4-dimethyl-2,3-dihydroquinolin-1-yl)-phenylmethanone (PubChem CID 71830919) has the molecular formula C18H19NO and a molecular weight of 265.36 g/mol. Its IUPAC name is (4,4-dimethyl-2,3-dihydroquinolin-1-yl)-phenylmethanone.

Molecular Properties

Compound Name(4,4-dimethyl-2,3-dihydroquinolin-1-yl)-phenylmethanone
PubChem CID71830919
Molecular FormulaC18H19NO
Molecular Weight265.36 g/mol
Exact Mass265.15
IUPAC Name(4,4-dimethyl-2,3-dihydroquinolin-1-yl)-phenylmethanone
SMILESCC1(C)CCN(C(=O)c2ccccc2)c2ccccc21
InChIInChI=1S/C18H19NO/c1-18(2)12-13-19(16-11-7-6-10-15(16)18)17(20)14-8-4-3-5-9-14/h3-11H,12-13H2,1-2H3
InChIKeyDKGAUJMNJLSKOB-UHFFFAOYSA-N
XLogP4.01
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4,4-dimethyl-2,3-dihydroquinolin-1-yl)propan-1-one;ethane
CID 142121679
(E)-1-(4,4-dimethyl-2,3-dihydroquinolin-1-yl)-3-phenylprop-2-en-1-one
CID 97416089
(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
N-[4-(5,5-dimethyl-3,4-dihydro-2H-1-benzazepine-1-carbonyl)phenyl]-2-methylbenzamide
CID 70067704
phenyl(spiro[2H-indole-3,1'-cyclobutane]-1-yl)methanone
CID 166223400
(2-bromophenyl)-(4-hydroxy-4-methyl-2,3-dihydroquinolin-1-yl)methanone
CID 110709585
[(3aS,8bS)-4,8b-dimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-3-yl]-phenylmethanone
CID 22215715
4-benzoyl-1-methyl-3H-quinoxalin-2-one
CID 110669540
2-(1-benzoyl-2,3-dihydroindol-4-yl)acetic acid
CID 58765445
1-butyl-4,4-dimethyl-2,3-dihydroquinoline
CID 167020051
(3-hydroxy-4,4-dimethylpiperidin-1-yl)-phenylmethanone
CID 115269824

Frequently Asked Questions

What is the IUPAC name of (4,4-dimethyl-2,3-dihydroquinolin-1-yl)-phenylmethanone?
The IUPAC name of (4,4-dimethyl-2,3-dihydroquinolin-1-yl)-phenylmethanone (CID 71830919) is (4,4-dimethyl-2,3-dihydroquinolin-1-yl)-phenylmethanone.
What is the SMILES notation for (4,4-dimethyl-2,3-dihydroquinolin-1-yl)-phenylmethanone?
The canonical SMILES for (4,4-dimethyl-2,3-dihydroquinolin-1-yl)-phenylmethanone is CC1(C)CCN(C(=O)c2ccccc2)c2ccccc21.
What is the InChIKey of (4,4-dimethyl-2,3-dihydroquinolin-1-yl)-phenylmethanone?
The InChIKey is DKGAUJMNJLSKOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO/c1-18(2)12-13-19(16-11-7-6-10-15(16)18)17(20)14-8-4-3-5-9-14/h3-11H,12-13H2,1-2H3.
What are the key properties of (4,4-dimethyl-2,3-dihydroquinolin-1-yl)-phenylmethanone?
(4,4-dimethyl-2,3-dihydroquinolin-1-yl)-phenylmethanone has a molecular weight of 265.36 g/mol, XLogP of 4.01, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4-dimethyl-2,3-dihydroquinolin-1-yl)-phenylmethanone is sourced from PubChem (CID 71830919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).