tert-butyl 2-(5-chloro-4-oxo-3-phenylquinazolin-2-yl)azetidine-1-carboxylate

C22H22ClN3O3 — CID 134305806

IUPACtert-butyl 2-(5-chloro-4-oxo-3-phenylquinazolin-2-yl)azetidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC1c1nc2cccc(Cl)c2c(=O)n1-c1ccccc1
InChIInChI=1S/C22H22ClN3O3/c1-22(2,3)29-21(28)25-13-12-17(25)19-24-16-11-7-10-15(23)18(16)20(27)26(19)14-8-5-4-6-9-14/h4-11,17H,12-13H2,1-3H3
InChIKeyFJKJYAZBPWKCOR-UHFFFAOYSA-N
MW411.89 g/mol
LogP4.72
Rot. Bonds2

About tert-butyl 2-(5-chloro-4-oxo-3-phenylquinazolin-2-yl)azetidine-1-carboxylate

tert-butyl 2-(5-chloro-4-oxo-3-phenylquinazolin-2-yl)azetidine-1-carboxylate (PubChem CID 134305806) has the molecular formula C22H22ClN3O3 and a molecular weight of 411.89 g/mol. Its IUPAC name is tert-butyl 2-(5-chloro-4-oxo-3-phenylquinazolin-2-yl)azetidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-(5-chloro-4-oxo-3-phenylquinazolin-2-yl)azetidine-1-carboxylate
PubChem CID134305806
Molecular FormulaC22H22ClN3O3
Molecular Weight411.89 g/mol
Exact Mass411.13
IUPAC Nametert-butyl 2-(5-chloro-4-oxo-3-phenylquinazolin-2-yl)azetidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC1c1nc2cccc(Cl)c2c(=O)n1-c1ccccc1
InChIInChI=1S/C22H22ClN3O3/c1-22(2,3)29-21(28)25-13-12-17(25)19-24-16-11-7-10-15(23)18(16)20(27)26(19)14-8-5-4-6-9-14/h4-11,17H,12-13H2,1-3H3
InChIKeyFJKJYAZBPWKCOR-UHFFFAOYSA-N
XLogP4.72
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.89
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze tert-butyl 2-(5-chloro-4-oxo-3-phenylquinazolin-2-yl)azetidine-1-carboxylate 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

tert-butyl 2-(5-chloro-4-oxo-3-phenylquinazolin-2-yl)-4-[(2,2-difluoroacetyl)-methylamino]pyrrolidine-1-carboxylate
CID 118677620
tert-butyl (2S)-2-[5-(benzenesulfonyl)-3-(3-fluorophenyl)-4-oxoquinazolin-2-yl]pyrrolidine-1-carboxylate
CID 118678014
tert-butyl (2S,4S)-2-[3-(3-aminophenyl)-5-chloro-4-oxoquinazolin-2-yl]-4-fluoropyrrolidine-1-carboxylate
CID 118571802
(2S)-2-[5-chloro-3-(3-methylphenyl)-4-oxoquinazolin-2-yl]pyrrolidine-1-carboxylic acid
CID 175123313
tert-butyl 4-[5-chloro-2-[1-(9H-fluoren-9-ylmethoxycarbonyl)pyrrolidin-2-yl]-4-oxoquinazolin-3-yl]piperazine-1-carboxylate
CID 118572397
tert-butyl 2-(5-iodo-4-oxo-3-phenylpyrrolo[2,1-f][1,2,4]triazin-2-yl)azetidine-1-carboxylate
CID 118468965
tert-butyl 2-[3-(2,6-difluorophenyl)-5-methylsulfonyl-4-oxoquinazolin-2-yl]pyrrolidine-1-carboxylate
CID 118677937
tert-butyl 2-[[2-[(1S)-1-aminoethyl]-5-chloro-4-oxoquinazolin-3-yl]methyl]piperidine-1-carboxylate
CID 118574036
2-amino-6-chlorobenzoic acid;5-chloro-2-cyclopentyl-3-(3-methylphenyl)quinazolin-4-one;5-chloro-3-(3-methylphenyl)-2-[(2S)-pyrrolidin-2-yl]quinazolin-4-one;3-methylaniline;1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
CID 159001258
2-amino-4-[(2S)-2-(5-chloro-4-oxo-3-phenylquinazolin-2-yl)pyrrolidin-1-yl]-6H-pyrimido[4,5-d]pyrimidin-5-one
CID 137294823
4-[(2S)-2-(5-chloro-4-oxo-3-phenylquinazolin-2-yl)pyrrolidin-1-yl]-8-[(4-methoxyphenyl)methyl]-6-methyl-7H-pyrimido[4,5-d]pyrimidin-5-one
CID 140862232
tert-butyl (2S)-2-(5-chloro-4-oxo-3-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)azetidine-1-carboxylate
CID 90031892

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(5-chloro-4-oxo-3-phenylquinazolin-2-yl)azetidine-1-carboxylate?
The IUPAC name of tert-butyl 2-(5-chloro-4-oxo-3-phenylquinazolin-2-yl)azetidine-1-carboxylate (CID 134305806) is tert-butyl 2-(5-chloro-4-oxo-3-phenylquinazolin-2-yl)azetidine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-(5-chloro-4-oxo-3-phenylquinazolin-2-yl)azetidine-1-carboxylate?
The canonical SMILES for tert-butyl 2-(5-chloro-4-oxo-3-phenylquinazolin-2-yl)azetidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC1c1nc2cccc(Cl)c2c(=O)n1-c1ccccc1.
What is the InChIKey of tert-butyl 2-(5-chloro-4-oxo-3-phenylquinazolin-2-yl)azetidine-1-carboxylate?
The InChIKey is FJKJYAZBPWKCOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClN3O3/c1-22(2,3)29-21(28)25-13-12-17(25)19-24-16-11-7-10-15(23)18(16)20(27)26(19)14-8-5-4-6-9-14/h4-11,17H,12-13H2,1-3H3.
What are the key properties of tert-butyl 2-(5-chloro-4-oxo-3-phenylquinazolin-2-yl)azetidine-1-carboxylate?
tert-butyl 2-(5-chloro-4-oxo-3-phenylquinazolin-2-yl)azetidine-1-carboxylate has a molecular weight of 411.89 g/mol, XLogP of 4.72, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(5-chloro-4-oxo-3-phenylquinazolin-2-yl)azetidine-1-carboxylate is sourced from PubChem (CID 134305806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).