N-(3-imidazol-1-ylpropyl)-7,7-dimethyl-1-(4-methylphenyl)-2,5-dioxo-6,8-dihydroquinoline-3-carboxamide

C25H28N4O3 — CID 2933323

IUPACN-(3-imidazol-1-ylpropyl)-7,7-dimethyl-1-(4-methylphenyl)-2,5-dioxo-6,8-dihydroquinoline-3-carboxamide
SMILESCc1ccc(-n2c3c(cc(C(=O)NCCCn4ccnc4)c2=O)C(=O)CC(C)(C)C3)cc1
InChIInChI=1S/C25H28N4O3/c1-17-5-7-18(8-6-17)29-21-14-25(2,3)15-22(30)19(21)13-20(24(29)32)23(31)27-9-4-11-28-12-10-26-16-28/h5-8,10,12-13,16H,4,9,11,14-15H2,1-3H3,(H,27,31)
InChIKeyRLZUKASGXNOQHI-UHFFFAOYSA-N
MW432.52 g/mol
LogP3.32
Rot. Bonds6

About N-(3-imidazol-1-ylpropyl)-7,7-dimethyl-1-(4-methylphenyl)-2,5-dioxo-6,8-dihydroquinoline-3-carboxamide

N-(3-imidazol-1-ylpropyl)-7,7-dimethyl-1-(4-methylphenyl)-2,5-dioxo-6,8-dihydroquinoline-3-carboxamide (PubChem CID 2933323) has the molecular formula C25H28N4O3 and a molecular weight of 432.52 g/mol. Its IUPAC name is N-(3-imidazol-1-ylpropyl)-7,7-dimethyl-1-(4-methylphenyl)-2,5-dioxo-6,8-dihydroquinoline-3-carboxamide.

Molecular Properties

Compound NameN-(3-imidazol-1-ylpropyl)-7,7-dimethyl-1-(4-methylphenyl)-2,5-dioxo-6,8-dihydroquinoline-3-carboxamide
PubChem CID2933323
Molecular FormulaC25H28N4O3
Molecular Weight432.52 g/mol
Exact Mass432.22
IUPAC NameN-(3-imidazol-1-ylpropyl)-7,7-dimethyl-1-(4-methylphenyl)-2,5-dioxo-6,8-dihydroquinoline-3-carboxamide
SMILESCc1ccc(-n2c3c(cc(C(=O)NCCCn4ccnc4)c2=O)C(=O)CC(C)(C)C3)cc1
InChIInChI=1S/C25H28N4O3/c1-17-5-7-18(8-6-17)29-21-14-25(2,3)15-22(30)19(21)13-20(24(29)32)23(31)27-9-4-11-28-12-10-26-16-28/h5-8,10,12-13,16H,4,9,11,14-15H2,1-3H3,(H,27,31)
InChIKeyRLZUKASGXNOQHI-UHFFFAOYSA-N
XLogP3.32
TPSA85.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.52
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-(3-imidazol-1-ylpropyl)-7,7-dimethyl-1-(4-methylphenyl)-2,5-dioxo-6,8-dihydroquinoline-3-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

7,7-dimethyl-1-(4-methylphenyl)-2,5-dioxo-N-(oxolan-2-ylmethyl)-6,8-dihydroquinoline-3-carboxamide
CID 2951423
5-bromo-N-(3-imidazol-1-ylpropyl)-2-methylbenzamide
CID 65307454
1-(4-chlorophenyl)-N-(5-chloro-2-pyridinyl)-7,7-dimethyl-2,5-dioxo-6,8-dihydroquinoline-3-carboxamide
CID 5202932
N-(3-imidazol-1-ylpropyl)-2-methyl-5-sulfanylbenzamide
CID 107022178
4-amino-N-(3-imidazol-1-ylpropyl)-3-methylbenzamide
CID 28993545
1-(4-fluorophenyl)-7,7-dimethyl-2,5-dioxo-6,8-dihydroquinoline-3-carboxylic acid
CID 71668941
N-(3-imidazol-1-ylpropyl)-2,3-dimethylbenzamide
CID 3274730
N-(3-imidazol-1-ylpropyl)-5-methyl-1H-pyrazole-4-carboxamide
CID 63998273
N-(3-imidazol-1-ylpropyl)-2-methylfuran-3-carboxamide
CID 3766728
N-(4-imidazol-1-ylbutyl)-1-(4-methylphenyl)-3-phenylpyrazole-4-carboxamide
CID 55976787
N-(3-imidazol-1-ylpropyl)-2-methyl-1,3-dioxoisoindole-5-carboxamide
CID 2994069
5-bromo-2-chloro-N-(3-imidazol-1-ylpropyl)benzamide
CID 2970837

Frequently Asked Questions

What is the IUPAC name of N-(3-imidazol-1-ylpropyl)-7,7-dimethyl-1-(4-methylphenyl)-2,5-dioxo-6,8-dihydroquinoline-3-carboxamide?
The IUPAC name of N-(3-imidazol-1-ylpropyl)-7,7-dimethyl-1-(4-methylphenyl)-2,5-dioxo-6,8-dihydroquinoline-3-carboxamide (CID 2933323) is N-(3-imidazol-1-ylpropyl)-7,7-dimethyl-1-(4-methylphenyl)-2,5-dioxo-6,8-dihydroquinoline-3-carboxamide.
What is the SMILES notation for N-(3-imidazol-1-ylpropyl)-7,7-dimethyl-1-(4-methylphenyl)-2,5-dioxo-6,8-dihydroquinoline-3-carboxamide?
The canonical SMILES for N-(3-imidazol-1-ylpropyl)-7,7-dimethyl-1-(4-methylphenyl)-2,5-dioxo-6,8-dihydroquinoline-3-carboxamide is Cc1ccc(-n2c3c(cc(C(=O)NCCCn4ccnc4)c2=O)C(=O)CC(C)(C)C3)cc1.
What is the InChIKey of N-(3-imidazol-1-ylpropyl)-7,7-dimethyl-1-(4-methylphenyl)-2,5-dioxo-6,8-dihydroquinoline-3-carboxamide?
The InChIKey is RLZUKASGXNOQHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O3/c1-17-5-7-18(8-6-17)29-21-14-25(2,3)15-22(30)19(21)13-20(24(29)32)23(31)27-9-4-11-28-12-10-26-16-28/h5-8,10,12-13,16H,4,9,11,14-15H2,1-3H3,(H,27,31).
What are the key properties of N-(3-imidazol-1-ylpropyl)-7,7-dimethyl-1-(4-methylphenyl)-2,5-dioxo-6,8-dihydroquinoline-3-carboxamide?
N-(3-imidazol-1-ylpropyl)-7,7-dimethyl-1-(4-methylphenyl)-2,5-dioxo-6,8-dihydroquinoline-3-carboxamide has a molecular weight of 432.52 g/mol, XLogP of 3.32, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-imidazol-1-ylpropyl)-7,7-dimethyl-1-(4-methylphenyl)-2,5-dioxo-6,8-dihydroquinoline-3-carboxamide is sourced from PubChem (CID 2933323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).