(7-amino-2,2,4-trimethyl-4-phenyl-3H-quinolin-1-yl)-(4-methylphenyl)methanone

C26H28N2O — CID 3742453

IUPAC(7-amino-2,2,4-trimethyl-4-phenyl-3H-quinolin-1-yl)-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)N2c3cc(N)ccc3C(C)(c3ccccc3)CC2(C)C)cc1
InChIInChI=1S/C26H28N2O/c1-18-10-12-19(13-11-18)24(29)28-23-16-21(27)14-15-22(23)26(4,17-25(28,2)3)20-8-6-5-7-9-20/h5-16H,17,27H2,1-4H3
InChIKeySSJVFGGOLUILQN-UHFFFAOYSA-N
MW384.52 g/mol
LogP5.71
Rot. Bonds2

About (7-amino-2,2,4-trimethyl-4-phenyl-3H-quinolin-1-yl)-(4-methylphenyl)methanone

(7-amino-2,2,4-trimethyl-4-phenyl-3H-quinolin-1-yl)-(4-methylphenyl)methanone (PubChem CID 3742453) has the molecular formula C26H28N2O and a molecular weight of 384.52 g/mol. Its IUPAC name is (7-amino-2,2,4-trimethyl-4-phenyl-3H-quinolin-1-yl)-(4-methylphenyl)methanone.

Molecular Properties

Compound Name(7-amino-2,2,4-trimethyl-4-phenyl-3H-quinolin-1-yl)-(4-methylphenyl)methanone
PubChem CID3742453
Molecular FormulaC26H28N2O
Molecular Weight384.52 g/mol
Exact Mass384.22
IUPAC Name(7-amino-2,2,4-trimethyl-4-phenyl-3H-quinolin-1-yl)-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)N2c3cc(N)ccc3C(C)(c3ccccc3)CC2(C)C)cc1
InChIInChI=1S/C26H28N2O/c1-18-10-12-19(13-11-18)24(29)28-23-16-21(27)14-15-22(23)26(4,17-25(28,2)3)20-8-6-5-7-9-20/h5-16H,17,27H2,1-4H3
InChIKeySSJVFGGOLUILQN-UHFFFAOYSA-N
XLogP5.71
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.52
LogP ≤ 55.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (7-amino-2,2,4-trimethyl-4-phenyl-3H-quinolin-1-yl)-(4-methylphenyl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (7-amino-2,2,4-trimethyl-4-phenyl-3H-quinolin-1-yl)-(4-methylphenyl)methanone?
The IUPAC name of (7-amino-2,2,4-trimethyl-4-phenyl-3H-quinolin-1-yl)-(4-methylphenyl)methanone (CID 3742453) is (7-amino-2,2,4-trimethyl-4-phenyl-3H-quinolin-1-yl)-(4-methylphenyl)methanone.
What is the SMILES notation for (7-amino-2,2,4-trimethyl-4-phenyl-3H-quinolin-1-yl)-(4-methylphenyl)methanone?
The canonical SMILES for (7-amino-2,2,4-trimethyl-4-phenyl-3H-quinolin-1-yl)-(4-methylphenyl)methanone is Cc1ccc(C(=O)N2c3cc(N)ccc3C(C)(c3ccccc3)CC2(C)C)cc1.
What is the InChIKey of (7-amino-2,2,4-trimethyl-4-phenyl-3H-quinolin-1-yl)-(4-methylphenyl)methanone?
The InChIKey is SSJVFGGOLUILQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O/c1-18-10-12-19(13-11-18)24(29)28-23-16-21(27)14-15-22(23)26(4,17-25(28,2)3)20-8-6-5-7-9-20/h5-16H,17,27H2,1-4H3.
What are the key properties of (7-amino-2,2,4-trimethyl-4-phenyl-3H-quinolin-1-yl)-(4-methylphenyl)methanone?
(7-amino-2,2,4-trimethyl-4-phenyl-3H-quinolin-1-yl)-(4-methylphenyl)methanone has a molecular weight of 384.52 g/mol, XLogP of 5.71, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7-amino-2,2,4-trimethyl-4-phenyl-3H-quinolin-1-yl)-(4-methylphenyl)methanone is sourced from PubChem (CID 3742453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).