1-(4-anilino-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-methylpropan-1-one

C20H24N2O — CID 2936728

IUPAC1-(4-anilino-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-methylpropan-1-one
SMILESCC(C)C(=O)N1c2ccccc2C(Nc2ccccc2)CC1C
InChIInChI=1S/C20H24N2O/c1-14(2)20(23)22-15(3)13-18(17-11-7-8-12-19(17)22)21-16-9-5-4-6-10-16/h4-12,14-15,18,21H,13H2,1-3H3
InChIKeyCTMUWCLHAWDBIR-UHFFFAOYSA-N
MW308.43 g/mol
LogP4.62
Rot. Bonds3

About 1-(4-anilino-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-methylpropan-1-one

1-(4-anilino-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-methylpropan-1-one (PubChem CID 2936728) has the molecular formula C20H24N2O and a molecular weight of 308.43 g/mol. Its IUPAC name is 1-(4-anilino-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-methylpropan-1-one.

Molecular Properties

Compound Name1-(4-anilino-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-methylpropan-1-one
PubChem CID2936728
Molecular FormulaC20H24N2O
Molecular Weight308.43 g/mol
Exact Mass308.19
IUPAC Name1-(4-anilino-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-methylpropan-1-one
SMILESCC(C)C(=O)N1c2ccccc2C(Nc2ccccc2)CC1C
InChIInChI=1S/C20H24N2O/c1-14(2)20(23)22-15(3)13-18(17-11-7-8-12-19(17)22)21-16-9-5-4-6-10-16/h4-12,14-15,18,21H,13H2,1-3H3
InChIKeyCTMUWCLHAWDBIR-UHFFFAOYSA-N
XLogP4.62
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-anilino-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-methylpropan-1-one?
The IUPAC name of 1-(4-anilino-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-methylpropan-1-one (CID 2936728) is 1-(4-anilino-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-methylpropan-1-one.
What is the SMILES notation for 1-(4-anilino-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-methylpropan-1-one?
The canonical SMILES for 1-(4-anilino-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-methylpropan-1-one is CC(C)C(=O)N1c2ccccc2C(Nc2ccccc2)CC1C.
What is the InChIKey of 1-(4-anilino-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-methylpropan-1-one?
The InChIKey is CTMUWCLHAWDBIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O/c1-14(2)20(23)22-15(3)13-18(17-11-7-8-12-19(17)22)21-16-9-5-4-6-10-16/h4-12,14-15,18,21H,13H2,1-3H3.
What are the key properties of 1-(4-anilino-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-methylpropan-1-one?
1-(4-anilino-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-methylpropan-1-one has a molecular weight of 308.43 g/mol, XLogP of 4.62, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-anilino-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-methylpropan-1-one is sourced from PubChem (CID 2936728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).