N-[4-(2-butyl-4-oxoquinazolin-3-yl)phenyl]-N-methylpyrrolidine-1-carboxamide

C24H28N4O2 — CID 143730756

IUPACN-[4-(2-butyl-4-oxoquinazolin-3-yl)phenyl]-N-methylpyrrolidine-1-carboxamide
SMILESCCCCc1nc2ccccc2c(=O)n1-c1ccc(N(C)C(=O)N2CCCC2)cc1
InChIInChI=1S/C24H28N4O2/c1-3-4-11-22-25-21-10-6-5-9-20(21)23(29)28(22)19-14-12-18(13-15-19)26(2)24(30)27-16-7-8-17-27/h5-6,9-10,12-15H,3-4,7-8,11,16-17H2,1-2H3
InChIKeyWNYBOWHNEQMLMA-UHFFFAOYSA-N
MW404.51 g/mol
LogP4.38
Rot. Bonds5

About N-[4-(2-butyl-4-oxoquinazolin-3-yl)phenyl]-N-methylpyrrolidine-1-carboxamide

N-[4-(2-butyl-4-oxoquinazolin-3-yl)phenyl]-N-methylpyrrolidine-1-carboxamide (PubChem CID 143730756) has the molecular formula C24H28N4O2 and a molecular weight of 404.51 g/mol. Its IUPAC name is N-[4-(2-butyl-4-oxoquinazolin-3-yl)phenyl]-N-methylpyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[4-(2-butyl-4-oxoquinazolin-3-yl)phenyl]-N-methylpyrrolidine-1-carboxamide
PubChem CID143730756
Molecular FormulaC24H28N4O2
Molecular Weight404.51 g/mol
Exact Mass404.22
IUPAC NameN-[4-(2-butyl-4-oxoquinazolin-3-yl)phenyl]-N-methylpyrrolidine-1-carboxamide
SMILESCCCCc1nc2ccccc2c(=O)n1-c1ccc(N(C)C(=O)N2CCCC2)cc1
InChIInChI=1S/C24H28N4O2/c1-3-4-11-22-25-21-10-6-5-9-20(21)23(29)28(22)19-14-12-18(13-15-19)26(2)24(30)27-16-7-8-17-27/h5-6,9-10,12-15H,3-4,7-8,11,16-17H2,1-2H3
InChIKeyWNYBOWHNEQMLMA-UHFFFAOYSA-N
XLogP4.38
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.51
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-(4-oxo-2-propylquinazolin-3-yl)phenyl]-2-propylquinazolin-4-one
CID 12631795
2-[4-(2-butyl-4-oxoquinazolin-3-yl)phenyl]guanidine
CID 24989132
[4-(2-butyl-4-oxoquinazolin-3-yl)phenyl]methyl N-tert-butylcarbamate
CID 24989164
2-[2-(dimethylamino)ethyl]-3-phenylquinazolin-4-one
CID 3239245
2-butyl-3-(2,3-dihydro-1H-indol-5-yl)quinazolin-4-one
CID 24989172
2-butyl-3-[4-[(1-tert-butylpyrrolidin-3-yl)amino]phenyl]quinazolin-4-one
CID 91476912
2-ethyl-3-phenylquinazolin-4-one
CID 719985
3-(4-ethylphenyl)-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylquinazolin-4-one
CID 2605126
2-butyl-3-[2-(methylamino)phenyl]quinazolin-4-one
CID 71072745
2-[3-(4-butylphenyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide
CID 42970537
ethane;2-ethyl-3-(4-methylphenyl)quinazolin-4-one
CID 90844218
2-methyl-3-[4-(piperidine-1-carbonyl)phenyl]quinazolin-4-one
CID 17471641

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-butyl-4-oxoquinazolin-3-yl)phenyl]-N-methylpyrrolidine-1-carboxamide?
The IUPAC name of N-[4-(2-butyl-4-oxoquinazolin-3-yl)phenyl]-N-methylpyrrolidine-1-carboxamide (CID 143730756) is N-[4-(2-butyl-4-oxoquinazolin-3-yl)phenyl]-N-methylpyrrolidine-1-carboxamide.
What is the SMILES notation for N-[4-(2-butyl-4-oxoquinazolin-3-yl)phenyl]-N-methylpyrrolidine-1-carboxamide?
The canonical SMILES for N-[4-(2-butyl-4-oxoquinazolin-3-yl)phenyl]-N-methylpyrrolidine-1-carboxamide is CCCCc1nc2ccccc2c(=O)n1-c1ccc(N(C)C(=O)N2CCCC2)cc1.
What is the InChIKey of N-[4-(2-butyl-4-oxoquinazolin-3-yl)phenyl]-N-methylpyrrolidine-1-carboxamide?
The InChIKey is WNYBOWHNEQMLMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O2/c1-3-4-11-22-25-21-10-6-5-9-20(21)23(29)28(22)19-14-12-18(13-15-19)26(2)24(30)27-16-7-8-17-27/h5-6,9-10,12-15H,3-4,7-8,11,16-17H2,1-2H3.
What are the key properties of N-[4-(2-butyl-4-oxoquinazolin-3-yl)phenyl]-N-methylpyrrolidine-1-carboxamide?
N-[4-(2-butyl-4-oxoquinazolin-3-yl)phenyl]-N-methylpyrrolidine-1-carboxamide has a molecular weight of 404.51 g/mol, XLogP of 4.38, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-butyl-4-oxoquinazolin-3-yl)phenyl]-N-methylpyrrolidine-1-carboxamide is sourced from PubChem (CID 143730756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).