2-butyl-3-[4-[(1-tert-butylpyrrolidin-3-yl)amino]phenyl]quinazolin-4-one

C26H34N4O — CID 91476912

IUPAC2-butyl-3-[4-[(1-tert-butylpyrrolidin-3-yl)amino]phenyl]quinazolin-4-one
SMILESCCCCc1nc2ccccc2c(=O)n1-c1ccc(NC2CCN(C(C)(C)C)C2)cc1
InChIInChI=1S/C26H34N4O/c1-5-6-11-24-28-23-10-8-7-9-22(23)25(31)30(24)21-14-12-19(13-15-21)27-20-16-17-29(18-20)26(2,3)4/h7-10,12-15,20,27H,5-6,11,16-18H2,1-4H3
InChIKeyGOUITDQJQWRYID-UHFFFAOYSA-N
MW418.59 g/mol
LogP5.01
Rot. Bonds6

About 2-butyl-3-[4-[(1-tert-butylpyrrolidin-3-yl)amino]phenyl]quinazolin-4-one

2-butyl-3-[4-[(1-tert-butylpyrrolidin-3-yl)amino]phenyl]quinazolin-4-one (PubChem CID 91476912) has the molecular formula C26H34N4O and a molecular weight of 418.59 g/mol. Its IUPAC name is 2-butyl-3-[4-[(1-tert-butylpyrrolidin-3-yl)amino]phenyl]quinazolin-4-one.

Molecular Properties

Compound Name2-butyl-3-[4-[(1-tert-butylpyrrolidin-3-yl)amino]phenyl]quinazolin-4-one
PubChem CID91476912
Molecular FormulaC26H34N4O
Molecular Weight418.59 g/mol
Exact Mass418.27
IUPAC Name2-butyl-3-[4-[(1-tert-butylpyrrolidin-3-yl)amino]phenyl]quinazolin-4-one
SMILESCCCCc1nc2ccccc2c(=O)n1-c1ccc(NC2CCN(C(C)(C)C)C2)cc1
InChIInChI=1S/C26H34N4O/c1-5-6-11-24-28-23-10-8-7-9-22(23)25(31)30(24)21-14-12-19(13-15-21)27-20-16-17-29(18-20)26(2,3)4/h7-10,12-15,20,27H,5-6,11,16-18H2,1-4H3
InChIKeyGOUITDQJQWRYID-UHFFFAOYSA-N
XLogP5.01
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.59
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-butyl-3-[4-[(1-tert-butylpyrrolidin-3-yl)amino]phenyl]quinazolin-4-one with MolForge

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Related Compounds

3-[4-(4-oxo-2-propylquinazolin-3-yl)phenyl]-2-propylquinazolin-4-one
CID 12631795
[4-(2-butyl-4-oxoquinazolin-3-yl)phenyl]methyl N-tert-butylcarbamate
CID 24989164
2-[4-(2-butyl-4-oxoquinazolin-3-yl)phenyl]guanidine
CID 24989132
2-butyl-3-(2,3-dihydro-1H-indol-5-yl)quinazolin-4-one
CID 24989172
N-[4-(2-butyl-4-oxoquinazolin-3-yl)phenyl]-N-methylpyrrolidine-1-carboxamide
CID 143730756
2-butyl-3-[2-(methylamino)phenyl]quinazolin-4-one
CID 71072745
2-ethyl-3-phenylquinazolin-4-one
CID 719985
ethane;2-ethyl-3-(4-methylphenyl)quinazolin-4-one
CID 90844218
2-(butylaminomethyl)-3-(4-methoxyphenyl)quinazolin-4-one
CID 131874393
2-(4-oxo-3-phenylquinazolin-2-yl)ethylcarbamic acid
CID 122540146
2-[(cyclohexylamino)methyl]-3-phenylquinazolin-4-one
CID 12547467
CID 87756550
CID 87756550

Frequently Asked Questions

What is the IUPAC name of 2-butyl-3-[4-[(1-tert-butylpyrrolidin-3-yl)amino]phenyl]quinazolin-4-one?
The IUPAC name of 2-butyl-3-[4-[(1-tert-butylpyrrolidin-3-yl)amino]phenyl]quinazolin-4-one (CID 91476912) is 2-butyl-3-[4-[(1-tert-butylpyrrolidin-3-yl)amino]phenyl]quinazolin-4-one.
What is the SMILES notation for 2-butyl-3-[4-[(1-tert-butylpyrrolidin-3-yl)amino]phenyl]quinazolin-4-one?
The canonical SMILES for 2-butyl-3-[4-[(1-tert-butylpyrrolidin-3-yl)amino]phenyl]quinazolin-4-one is CCCCc1nc2ccccc2c(=O)n1-c1ccc(NC2CCN(C(C)(C)C)C2)cc1.
What is the InChIKey of 2-butyl-3-[4-[(1-tert-butylpyrrolidin-3-yl)amino]phenyl]quinazolin-4-one?
The InChIKey is GOUITDQJQWRYID-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N4O/c1-5-6-11-24-28-23-10-8-7-9-22(23)25(31)30(24)21-14-12-19(13-15-21)27-20-16-17-29(18-20)26(2,3)4/h7-10,12-15,20,27H,5-6,11,16-18H2,1-4H3.
What are the key properties of 2-butyl-3-[4-[(1-tert-butylpyrrolidin-3-yl)amino]phenyl]quinazolin-4-one?
2-butyl-3-[4-[(1-tert-butylpyrrolidin-3-yl)amino]phenyl]quinazolin-4-one has a molecular weight of 418.59 g/mol, XLogP of 5.01, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-3-[4-[(1-tert-butylpyrrolidin-3-yl)amino]phenyl]quinazolin-4-one is sourced from PubChem (CID 91476912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).