[4-(2-butyl-4-oxoquinazolin-3-yl)phenyl]methyl N-tert-butylcarbamate

C24H29N3O3 — CID 24989164

IUPAC[4-(2-butyl-4-oxoquinazolin-3-yl)phenyl]methyl N-tert-butylcarbamate
SMILESCCCCc1nc2ccccc2c(=O)n1-c1ccc(COC(=O)NC(C)(C)C)cc1
InChIInChI=1S/C24H29N3O3/c1-5-6-11-21-25-20-10-8-7-9-19(20)22(28)27(21)18-14-12-17(13-15-18)16-30-23(29)26-24(2,3)4/h7-10,12-15H,5-6,11,16H2,1-4H3,(H,26,29)
InChIKeyDNSDPBCPKXFAJH-UHFFFAOYSA-N
MW407.51 g/mol
LogP4.75
Rot. Bonds6

About [4-(2-butyl-4-oxoquinazolin-3-yl)phenyl]methyl N-tert-butylcarbamate

[4-(2-butyl-4-oxoquinazolin-3-yl)phenyl]methyl N-tert-butylcarbamate (PubChem CID 24989164) has the molecular formula C24H29N3O3 and a molecular weight of 407.51 g/mol. Its IUPAC name is [4-(2-butyl-4-oxoquinazolin-3-yl)phenyl]methyl N-tert-butylcarbamate.

Molecular Properties

Compound Name[4-(2-butyl-4-oxoquinazolin-3-yl)phenyl]methyl N-tert-butylcarbamate
PubChem CID24989164
Molecular FormulaC24H29N3O3
Molecular Weight407.51 g/mol
Exact Mass407.22
IUPAC Name[4-(2-butyl-4-oxoquinazolin-3-yl)phenyl]methyl N-tert-butylcarbamate
SMILESCCCCc1nc2ccccc2c(=O)n1-c1ccc(COC(=O)NC(C)(C)C)cc1
InChIInChI=1S/C24H29N3O3/c1-5-6-11-21-25-20-10-8-7-9-19(20)22(28)27(21)18-14-12-17(13-15-18)16-30-23(29)26-24(2,3)4/h7-10,12-15H,5-6,11,16H2,1-4H3,(H,26,29)
InChIKeyDNSDPBCPKXFAJH-UHFFFAOYSA-N
XLogP4.75
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.51
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [4-(2-butyl-4-oxoquinazolin-3-yl)phenyl]methyl N-tert-butylcarbamate 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

2-[4-(2-butyl-4-oxoquinazolin-3-yl)phenyl]guanidine
CID 24989132
3-[4-(4-oxo-2-propylquinazolin-3-yl)phenyl]-2-propylquinazolin-4-one
CID 12631795
benzyl N-[[3-(4-fluorophenyl)-4-oxoquinazolin-2-yl]methyl]carbamate
CID 24807791
N-[4-(2-butyl-4-oxoquinazolin-3-yl)phenyl]-N-methylpyrrolidine-1-carboxamide
CID 143730756
2-butyl-3-[4-[(1-tert-butylpyrrolidin-3-yl)amino]phenyl]quinazolin-4-one
CID 91476912
2-butyl-3-[2-(methylamino)phenyl]quinazolin-4-one
CID 71072745
4-[4-oxo-2-(phenoxymethyl)quinazolin-3-yl]benzoic acid
CID 12626569
2-[3-(4-butylphenyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide
CID 42970537
2-(4-oxo-3-phenylquinazolin-2-yl)ethylcarbamic acid
CID 122540146
2-(butylaminomethyl)-3-(4-methoxyphenyl)quinazolin-4-one
CID 131874393
2-butyl-3-(2,3-dihydro-1H-indol-5-yl)quinazolin-4-one
CID 24989172
2-ethyl-3-phenylquinazolin-4-one
CID 719985

Frequently Asked Questions

What is the IUPAC name of [4-(2-butyl-4-oxoquinazolin-3-yl)phenyl]methyl N-tert-butylcarbamate?
The IUPAC name of [4-(2-butyl-4-oxoquinazolin-3-yl)phenyl]methyl N-tert-butylcarbamate (CID 24989164) is [4-(2-butyl-4-oxoquinazolin-3-yl)phenyl]methyl N-tert-butylcarbamate.
What is the SMILES notation for [4-(2-butyl-4-oxoquinazolin-3-yl)phenyl]methyl N-tert-butylcarbamate?
The canonical SMILES for [4-(2-butyl-4-oxoquinazolin-3-yl)phenyl]methyl N-tert-butylcarbamate is CCCCc1nc2ccccc2c(=O)n1-c1ccc(COC(=O)NC(C)(C)C)cc1.
What is the InChIKey of [4-(2-butyl-4-oxoquinazolin-3-yl)phenyl]methyl N-tert-butylcarbamate?
The InChIKey is DNSDPBCPKXFAJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O3/c1-5-6-11-21-25-20-10-8-7-9-19(20)22(28)27(21)18-14-12-17(13-15-18)16-30-23(29)26-24(2,3)4/h7-10,12-15H,5-6,11,16H2,1-4H3,(H,26,29).
What are the key properties of [4-(2-butyl-4-oxoquinazolin-3-yl)phenyl]methyl N-tert-butylcarbamate?
[4-(2-butyl-4-oxoquinazolin-3-yl)phenyl]methyl N-tert-butylcarbamate has a molecular weight of 407.51 g/mol, XLogP of 4.75, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-butyl-4-oxoquinazolin-3-yl)phenyl]methyl N-tert-butylcarbamate is sourced from PubChem (CID 24989164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).