tert-butyl 3-[4-amino-6-(2-methoxyethoxy)-2-methylquinazolin-7-yl]oxyazetidine-1-carboxylate

C20H28N4O5 — CID 170147023

IUPACtert-butyl 3-[4-amino-6-(2-methoxyethoxy)-2-methylquinazolin-7-yl]oxyazetidine-1-carboxylate
SMILESCOCCOc1cc2c(N)nc(C)nc2cc1OC1CN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C20H28N4O5/c1-12-22-15-9-17(16(27-7-6-26-5)8-14(15)18(21)23-12)28-13-10-24(11-13)19(25)29-20(2,3)4/h8-9,13H,6-7,10-11H2,1-5H3,(H2,21,22,23)
InChIKeyRPWYVIANJFIKSZ-UHFFFAOYSA-N
MW404.47 g/mol
LogP2.54
Rot. Bonds6

About tert-butyl 3-[4-amino-6-(2-methoxyethoxy)-2-methylquinazolin-7-yl]oxyazetidine-1-carboxylate

tert-butyl 3-[4-amino-6-(2-methoxyethoxy)-2-methylquinazolin-7-yl]oxyazetidine-1-carboxylate (PubChem CID 170147023) has the molecular formula C20H28N4O5 and a molecular weight of 404.47 g/mol. Its IUPAC name is tert-butyl 3-[4-amino-6-(2-methoxyethoxy)-2-methylquinazolin-7-yl]oxyazetidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[4-amino-6-(2-methoxyethoxy)-2-methylquinazolin-7-yl]oxyazetidine-1-carboxylate
PubChem CID170147023
Molecular FormulaC20H28N4O5
Molecular Weight404.47 g/mol
Exact Mass404.21
IUPAC Nametert-butyl 3-[4-amino-6-(2-methoxyethoxy)-2-methylquinazolin-7-yl]oxyazetidine-1-carboxylate
SMILESCOCCOc1cc2c(N)nc(C)nc2cc1OC1CN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C20H28N4O5/c1-12-22-15-9-17(16(27-7-6-26-5)8-14(15)18(21)23-12)28-13-10-24(11-13)19(25)29-20(2,3)4/h8-9,13H,6-7,10-11H2,1-5H3,(H2,21,22,23)
InChIKeyRPWYVIANJFIKSZ-UHFFFAOYSA-N
XLogP2.54
TPSA109.03 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze tert-butyl 3-[4-amino-6-(2-methoxyethoxy)-2-methylquinazolin-7-yl]oxyazetidine-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 3-(5-chloro-2-iodophenoxy)azetidine-1-carboxylate
CID 175686853
tert-butyl 3-(2,4,5-trifluorophenoxy)azetidine-1-carboxylate
CID 24902669
tert-butyl 3-[5-(2-amino-1-methoxypropan-2-yl)-3-chloroisoquinolin-8-yl]oxyazetidine-1-carboxylate
CID 165117565
tert-butyl 4-[7-(3-chloropropoxy)-2-(dimethylamino)-6-methoxyquinazolin-4-yl]piperazine-1-carboxylate
CID 130454633
tert-butyl 3-[5-[[2-[4-(6,7-dimethoxyquinazolin-4-yl)oxypyrazol-1-yl]acetyl]amino]-2-methoxyphenoxy]azetidine-1-carboxylate
CID 69077108
tert-butyl 3-(4-amino-8,9-dimethoxybenzo[c][2,7]naphthyridin-2-yl)pyrrolidine-1-carboxylate
CID 69171278
tert-butyl 3-[(6-fluoro-1H-indol-5-yl)oxy]azetidine-1-carboxylate
CID 176913405
tert-butyl 3-(4-amino-1-methylpyrazol-3-yl)oxyazetidine-1-carboxylate
CID 167237321
tert-butyl 3-[(5-bromo-3-methyl-2-pyridinyl)oxy]azetidine-1-carboxylate
CID 138985889
tert-butyl 3-[[6-bromo-4-(trifluoromethyl)-3-pyridinyl]oxy]azetidine-1-carboxylate
CID 164905364
tert-butyl (3R)-3-(2,6-dimethylpyrimidin-4-yl)oxypyrrolidine-1-carboxylate
CID 153376550
tert-butyl 3-(4-bromo-2,6-difluorophenoxy)azetidine-1-carboxylate;ethane
CID 142405797

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[4-amino-6-(2-methoxyethoxy)-2-methylquinazolin-7-yl]oxyazetidine-1-carboxylate?
The IUPAC name of tert-butyl 3-[4-amino-6-(2-methoxyethoxy)-2-methylquinazolin-7-yl]oxyazetidine-1-carboxylate (CID 170147023) is tert-butyl 3-[4-amino-6-(2-methoxyethoxy)-2-methylquinazolin-7-yl]oxyazetidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-[4-amino-6-(2-methoxyethoxy)-2-methylquinazolin-7-yl]oxyazetidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-[4-amino-6-(2-methoxyethoxy)-2-methylquinazolin-7-yl]oxyazetidine-1-carboxylate is COCCOc1cc2c(N)nc(C)nc2cc1OC1CN(C(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl 3-[4-amino-6-(2-methoxyethoxy)-2-methylquinazolin-7-yl]oxyazetidine-1-carboxylate?
The InChIKey is RPWYVIANJFIKSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O5/c1-12-22-15-9-17(16(27-7-6-26-5)8-14(15)18(21)23-12)28-13-10-24(11-13)19(25)29-20(2,3)4/h8-9,13H,6-7,10-11H2,1-5H3,(H2,21,22,23).
What are the key properties of tert-butyl 3-[4-amino-6-(2-methoxyethoxy)-2-methylquinazolin-7-yl]oxyazetidine-1-carboxylate?
tert-butyl 3-[4-amino-6-(2-methoxyethoxy)-2-methylquinazolin-7-yl]oxyazetidine-1-carboxylate has a molecular weight of 404.47 g/mol, XLogP of 2.54, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[4-amino-6-(2-methoxyethoxy)-2-methylquinazolin-7-yl]oxyazetidine-1-carboxylate is sourced from PubChem (CID 170147023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).