1-(4,4-dimethyl-6-phenyl-2,3-dihydro-1H-quinolin-7-yl)ethanone

C19H21NO — CID 68789609

IUPAC1-(4,4-dimethyl-6-phenyl-2,3-dihydro-1H-quinolin-7-yl)ethanone
SMILESCC(=O)c1cc2c(cc1-c1ccccc1)C(C)(C)CCN2
InChIInChI=1S/C19H21NO/c1-13(21)15-12-18-17(19(2,3)9-10-20-18)11-16(15)14-7-5-4-6-8-14/h4-8,11-12,20H,9-10H2,1-3H3
InChIKeyVCCHZACMPHPPIN-UHFFFAOYSA-N
MW279.38 g/mol
LogP4.65
Rot. Bonds2

About 1-(4,4-dimethyl-6-phenyl-2,3-dihydro-1H-quinolin-7-yl)ethanone

1-(4,4-dimethyl-6-phenyl-2,3-dihydro-1H-quinolin-7-yl)ethanone (PubChem CID 68789609) has the molecular formula C19H21NO and a molecular weight of 279.38 g/mol. Its IUPAC name is 1-(4,4-dimethyl-6-phenyl-2,3-dihydro-1H-quinolin-7-yl)ethanone.

Molecular Properties

Compound Name1-(4,4-dimethyl-6-phenyl-2,3-dihydro-1H-quinolin-7-yl)ethanone
PubChem CID68789609
Molecular FormulaC19H21NO
Molecular Weight279.38 g/mol
Exact Mass279.16
IUPAC Name1-(4,4-dimethyl-6-phenyl-2,3-dihydro-1H-quinolin-7-yl)ethanone
SMILESCC(=O)c1cc2c(cc1-c1ccccc1)C(C)(C)CCN2
InChIInChI=1S/C19H21NO/c1-13(21)15-12-18-17(19(2,3)9-10-20-18)11-16(15)14-7-5-4-6-8-14/h4-8,11-12,20H,9-10H2,1-3H3
InChIKeyVCCHZACMPHPPIN-UHFFFAOYSA-N
XLogP4.65
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4,4-dimethyl-6-phenyl-2,3-dihydro-1H-quinolin-7-yl)ethanone?
The IUPAC name of 1-(4,4-dimethyl-6-phenyl-2,3-dihydro-1H-quinolin-7-yl)ethanone (CID 68789609) is 1-(4,4-dimethyl-6-phenyl-2,3-dihydro-1H-quinolin-7-yl)ethanone.
What is the SMILES notation for 1-(4,4-dimethyl-6-phenyl-2,3-dihydro-1H-quinolin-7-yl)ethanone?
The canonical SMILES for 1-(4,4-dimethyl-6-phenyl-2,3-dihydro-1H-quinolin-7-yl)ethanone is CC(=O)c1cc2c(cc1-c1ccccc1)C(C)(C)CCN2.
What is the InChIKey of 1-(4,4-dimethyl-6-phenyl-2,3-dihydro-1H-quinolin-7-yl)ethanone?
The InChIKey is VCCHZACMPHPPIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO/c1-13(21)15-12-18-17(19(2,3)9-10-20-18)11-16(15)14-7-5-4-6-8-14/h4-8,11-12,20H,9-10H2,1-3H3.
What are the key properties of 1-(4,4-dimethyl-6-phenyl-2,3-dihydro-1H-quinolin-7-yl)ethanone?
1-(4,4-dimethyl-6-phenyl-2,3-dihydro-1H-quinolin-7-yl)ethanone has a molecular weight of 279.38 g/mol, XLogP of 4.65, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-dimethyl-6-phenyl-2,3-dihydro-1H-quinolin-7-yl)ethanone is sourced from PubChem (CID 68789609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).