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

C25H34N2O — CID 3613081

IUPAC1-(4-anilino-2-methyl-3,4-dihydro-2H-quinolin-1-yl)nonan-1-one
SMILESCCCCCCCCC(=O)N1c2ccccc2C(Nc2ccccc2)CC1C
InChIInChI=1S/C25H34N2O/c1-3-4-5-6-7-11-18-25(28)27-20(2)19-23(22-16-12-13-17-24(22)27)26-21-14-9-8-10-15-21/h8-10,12-17,20,23,26H,3-7,11,18-19H2,1-2H3
InChIKeyYYOCROVHZSOZKJ-UHFFFAOYSA-N
MW378.56 g/mol
LogP6.72
Rot. Bonds9

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

1-(4-anilino-2-methyl-3,4-dihydro-2H-quinolin-1-yl)nonan-1-one (PubChem CID 3613081) has the molecular formula C25H34N2O and a molecular weight of 378.56 g/mol. Its IUPAC name is 1-(4-anilino-2-methyl-3,4-dihydro-2H-quinolin-1-yl)nonan-1-one.

Molecular Properties

Compound Name1-(4-anilino-2-methyl-3,4-dihydro-2H-quinolin-1-yl)nonan-1-one
PubChem CID3613081
Molecular FormulaC25H34N2O
Molecular Weight378.56 g/mol
Exact Mass378.27
IUPAC Name1-(4-anilino-2-methyl-3,4-dihydro-2H-quinolin-1-yl)nonan-1-one
SMILESCCCCCCCCC(=O)N1c2ccccc2C(Nc2ccccc2)CC1C
InChIInChI=1S/C25H34N2O/c1-3-4-5-6-7-11-18-25(28)27-20(2)19-23(22-16-12-13-17-24(22)27)26-21-14-9-8-10-15-21/h8-10,12-17,20,23,26H,3-7,11,18-19H2,1-2H3
InChIKeyYYOCROVHZSOZKJ-UHFFFAOYSA-N
XLogP6.72
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.56
LogP ≤ 56.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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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)nonan-1-one?
The IUPAC name of 1-(4-anilino-2-methyl-3,4-dihydro-2H-quinolin-1-yl)nonan-1-one (CID 3613081) is 1-(4-anilino-2-methyl-3,4-dihydro-2H-quinolin-1-yl)nonan-1-one.
What is the SMILES notation for 1-(4-anilino-2-methyl-3,4-dihydro-2H-quinolin-1-yl)nonan-1-one?
The canonical SMILES for 1-(4-anilino-2-methyl-3,4-dihydro-2H-quinolin-1-yl)nonan-1-one is CCCCCCCCC(=O)N1c2ccccc2C(Nc2ccccc2)CC1C.
What is the InChIKey of 1-(4-anilino-2-methyl-3,4-dihydro-2H-quinolin-1-yl)nonan-1-one?
The InChIKey is YYOCROVHZSOZKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N2O/c1-3-4-5-6-7-11-18-25(28)27-20(2)19-23(22-16-12-13-17-24(22)27)26-21-14-9-8-10-15-21/h8-10,12-17,20,23,26H,3-7,11,18-19H2,1-2H3.
What are the key properties of 1-(4-anilino-2-methyl-3,4-dihydro-2H-quinolin-1-yl)nonan-1-one?
1-(4-anilino-2-methyl-3,4-dihydro-2H-quinolin-1-yl)nonan-1-one has a molecular weight of 378.56 g/mol, XLogP of 6.72, 9 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)nonan-1-one is sourced from PubChem (CID 3613081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).