1-(6-amino-2,2,4-trimethyl-4-phenyl-3H-quinolin-1-yl)propan-1-one

C21H26N2O — CID 15390256

IUPAC1-(6-amino-2,2,4-trimethyl-4-phenyl-3H-quinolin-1-yl)propan-1-one
SMILESCCC(=O)N1c2ccc(N)cc2C(C)(c2ccccc2)CC1(C)C
InChIInChI=1S/C21H26N2O/c1-5-19(24)23-18-12-11-16(22)13-17(18)21(4,14-20(23,2)3)15-9-7-6-8-10-15/h6-13H,5,14,22H2,1-4H3
InChIKeyCRXJHMATYNYLBQ-UHFFFAOYSA-N
MW322.45 g/mol
LogP4.50
Rot. Bonds2

About 1-(6-amino-2,2,4-trimethyl-4-phenyl-3H-quinolin-1-yl)propan-1-one

1-(6-amino-2,2,4-trimethyl-4-phenyl-3H-quinolin-1-yl)propan-1-one (PubChem CID 15390256) has the molecular formula C21H26N2O and a molecular weight of 322.45 g/mol. Its IUPAC name is 1-(6-amino-2,2,4-trimethyl-4-phenyl-3H-quinolin-1-yl)propan-1-one.

Molecular Properties

Compound Name1-(6-amino-2,2,4-trimethyl-4-phenyl-3H-quinolin-1-yl)propan-1-one
PubChem CID15390256
Molecular FormulaC21H26N2O
Molecular Weight322.45 g/mol
Exact Mass322.20
IUPAC Name1-(6-amino-2,2,4-trimethyl-4-phenyl-3H-quinolin-1-yl)propan-1-one
SMILESCCC(=O)N1c2ccc(N)cc2C(C)(c2ccccc2)CC1(C)C
InChIInChI=1S/C21H26N2O/c1-5-19(24)23-18-12-11-16(22)13-17(18)21(4,14-20(23,2)3)15-9-7-6-8-10-15/h6-13H,5,14,22H2,1-4H3
InChIKeyCRXJHMATYNYLBQ-UHFFFAOYSA-N
XLogP4.50
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(6-amino-2,2,4-trimethyl-4-phenyl-3H-quinolin-1-yl)propan-1-one 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 1-(6-amino-2,2,4-trimethyl-4-phenyl-3H-quinolin-1-yl)propan-1-one?
The IUPAC name of 1-(6-amino-2,2,4-trimethyl-4-phenyl-3H-quinolin-1-yl)propan-1-one (CID 15390256) is 1-(6-amino-2,2,4-trimethyl-4-phenyl-3H-quinolin-1-yl)propan-1-one.
What is the SMILES notation for 1-(6-amino-2,2,4-trimethyl-4-phenyl-3H-quinolin-1-yl)propan-1-one?
The canonical SMILES for 1-(6-amino-2,2,4-trimethyl-4-phenyl-3H-quinolin-1-yl)propan-1-one is CCC(=O)N1c2ccc(N)cc2C(C)(c2ccccc2)CC1(C)C.
What is the InChIKey of 1-(6-amino-2,2,4-trimethyl-4-phenyl-3H-quinolin-1-yl)propan-1-one?
The InChIKey is CRXJHMATYNYLBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O/c1-5-19(24)23-18-12-11-16(22)13-17(18)21(4,14-20(23,2)3)15-9-7-6-8-10-15/h6-13H,5,14,22H2,1-4H3.
What are the key properties of 1-(6-amino-2,2,4-trimethyl-4-phenyl-3H-quinolin-1-yl)propan-1-one?
1-(6-amino-2,2,4-trimethyl-4-phenyl-3H-quinolin-1-yl)propan-1-one has a molecular weight of 322.45 g/mol, XLogP of 4.50, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-amino-2,2,4-trimethyl-4-phenyl-3H-quinolin-1-yl)propan-1-one is sourced from PubChem (CID 15390256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).