tert-butyl 3-(4-methoxyquinazolin-6-yl)-3-methylazetidine-1-carboxylate

C18H23N3O3 — CID 166539273

IUPACtert-butyl 3-(4-methoxyquinazolin-6-yl)-3-methylazetidine-1-carboxylate
SMILESCOc1ncnc2ccc(C3(C)CN(C(=O)OC(C)(C)C)C3)cc12
InChIInChI=1S/C18H23N3O3/c1-17(2,3)24-16(22)21-9-18(4,10-21)12-6-7-14-13(8-12)15(23-5)20-11-19-14/h6-8,11H,9-10H2,1-5H3
InChIKeyVEKVTUVXNOMJGM-UHFFFAOYSA-N
MW329.40 g/mol
LogP3.15
Rot. Bonds2

About tert-butyl 3-(4-methoxyquinazolin-6-yl)-3-methylazetidine-1-carboxylate

tert-butyl 3-(4-methoxyquinazolin-6-yl)-3-methylazetidine-1-carboxylate (PubChem CID 166539273) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is tert-butyl 3-(4-methoxyquinazolin-6-yl)-3-methylazetidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-(4-methoxyquinazolin-6-yl)-3-methylazetidine-1-carboxylate
PubChem CID166539273
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC Nametert-butyl 3-(4-methoxyquinazolin-6-yl)-3-methylazetidine-1-carboxylate
SMILESCOc1ncnc2ccc(C3(C)CN(C(=O)OC(C)(C)C)C3)cc12
InChIInChI=1S/C18H23N3O3/c1-17(2,3)24-16(22)21-9-18(4,10-21)12-6-7-14-13(8-12)15(23-5)20-11-19-14/h6-8,11H,9-10H2,1-5H3
InChIKeyVEKVTUVXNOMJGM-UHFFFAOYSA-N
XLogP3.15
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl 3-[4-(3,4-dichloro-2-fluoroanilino)quinazolin-6-yl]-3-hydroxyazetidine-1-carboxylate
CID 166538617
tert-butyl 3-hydroxy-3-quinolin-6-ylazetidine-1-carboxylate
CID 103775238
[4-(4-methoxyquinazolin-6-yl)piperazin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 126894625
(2S,4R)-4-(6-bromoquinazolin-4-yl)oxy-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
CID 66963114
tert-butyl 3-[4-[3-chloro-4-(difluoromethoxy)anilino]-7-methoxyquinazolin-6-yl]-3-methylazetidine-1-carboxylate
CID 166539939
4-[3-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]benzoic acid
CID 22076886
tert-butyl 3-(4-chloro-7-methoxyquinolin-6-yl)-3-methoxyazetidine-1-carboxylate
CID 164596786
tert-butyl 5-(5-amino-6-methoxypyrimidin-4-yl)oxy-1,3-dihydroisoindole-2-carboxylate
CID 146290935
1-O-tert-butyl 4-O-methyl 4-quinazolin-4-ylpiperidine-1,4-dicarboxylate
CID 58770778
tert-butyl 4-quinazolin-4-yl-1,4-diazepane-1-carboxylate
CID 69365805
tert-butyl 4-[[6-[5-(methanesulfonamido)-6-methoxy-3-pyridinyl]quinazolin-4-yl]amino]piperidine-1-carboxylate
CID 155534617
tert-butyl 3,3-dimethylpyrrolidine-1-carboxylate;3-chloro-2-methoxypyridine
CID 156848103

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(4-methoxyquinazolin-6-yl)-3-methylazetidine-1-carboxylate?
The IUPAC name of tert-butyl 3-(4-methoxyquinazolin-6-yl)-3-methylazetidine-1-carboxylate (CID 166539273) is tert-butyl 3-(4-methoxyquinazolin-6-yl)-3-methylazetidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-(4-methoxyquinazolin-6-yl)-3-methylazetidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-(4-methoxyquinazolin-6-yl)-3-methylazetidine-1-carboxylate is COc1ncnc2ccc(C3(C)CN(C(=O)OC(C)(C)C)C3)cc12.
What is the InChIKey of tert-butyl 3-(4-methoxyquinazolin-6-yl)-3-methylazetidine-1-carboxylate?
The InChIKey is VEKVTUVXNOMJGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-17(2,3)24-16(22)21-9-18(4,10-21)12-6-7-14-13(8-12)15(23-5)20-11-19-14/h6-8,11H,9-10H2,1-5H3.
What are the key properties of tert-butyl 3-(4-methoxyquinazolin-6-yl)-3-methylazetidine-1-carboxylate?
tert-butyl 3-(4-methoxyquinazolin-6-yl)-3-methylazetidine-1-carboxylate has a molecular weight of 329.40 g/mol, XLogP of 3.15, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(4-methoxyquinazolin-6-yl)-3-methylazetidine-1-carboxylate is sourced from PubChem (CID 166539273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).