tert-butyl N-[2-[1-(8-methoxyquinazolin-4-yl)azetidin-3-yl]ethyl]carbamate

C19H26N4O3 — CID 163275284

IUPACtert-butyl N-[2-[1-(8-methoxyquinazolin-4-yl)azetidin-3-yl]ethyl]carbamate
SMILESCOc1cccc2c(N3CC(CCNC(=O)OC(C)(C)C)C3)ncnc12
InChIInChI=1S/C19H26N4O3/c1-19(2,3)26-18(24)20-9-8-13-10-23(11-13)17-14-6-5-7-15(25-4)16(14)21-12-22-17/h5-7,12-13H,8-11H2,1-4H3,(H,20,24)
InChIKeyHMJBMALHJMSXLK-UHFFFAOYSA-N
MW358.44 g/mol
LogP2.99
Rot. Bonds5

About tert-butyl N-[2-[1-(8-methoxyquinazolin-4-yl)azetidin-3-yl]ethyl]carbamate

tert-butyl N-[2-[1-(8-methoxyquinazolin-4-yl)azetidin-3-yl]ethyl]carbamate (PubChem CID 163275284) has the molecular formula C19H26N4O3 and a molecular weight of 358.44 g/mol. Its IUPAC name is tert-butyl N-[2-[1-(8-methoxyquinazolin-4-yl)azetidin-3-yl]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[1-(8-methoxyquinazolin-4-yl)azetidin-3-yl]ethyl]carbamate
PubChem CID163275284
Molecular FormulaC19H26N4O3
Molecular Weight358.44 g/mol
Exact Mass358.20
IUPAC Nametert-butyl N-[2-[1-(8-methoxyquinazolin-4-yl)azetidin-3-yl]ethyl]carbamate
SMILESCOc1cccc2c(N3CC(CCNC(=O)OC(C)(C)C)C3)ncnc12
InChIInChI=1S/C19H26N4O3/c1-19(2,3)26-18(24)20-9-8-13-10-23(11-13)17-14-6-5-7-15(25-4)16(14)21-12-22-17/h5-7,12-13H,8-11H2,1-4H3,(H,20,24)
InChIKeyHMJBMALHJMSXLK-UHFFFAOYSA-N
XLogP2.99
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze tert-butyl N-[2-[1-(8-methoxyquinazolin-4-yl)azetidin-3-yl]ethyl]carbamate with MolForge

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Related Compounds

8-ethoxy-4-[3-[2-(sulfamoylamino)ethyl]azetidin-1-yl]quinazoline
CID 163275369
tert-butyl N-[2-[1-(7-methoxyquinazolin-4-yl)azetidin-3-yl]ethylsulfamoyl]carbamate
CID 163274875
bis[[1-(8-methoxyquinazolin-4-yl)piperidin-3-yl]methoxy]-oxophosphanium
CID 175457534
[(3S)-1-(8-methoxyquinazolin-4-yl)piperidin-3-yl]methoxymethylphosphonic acid
CID 166527093
tert-butyl N-[2-[1-(1-methoxyisoquinolin-5-yl)sulfanylpiperidin-4-yl]ethyl]carbamate
CID 176667889
1-diethoxyphosphoryl-N-[1-(8-methoxyquinazolin-4-yl)piperidin-4-yl]formamide
CID 166527049
4-(8-methoxyquinazolin-4-yl)thiomorpholine
CID 171802301
tert-butyl N-[2-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]ethyl]carbamate;4-chloro-6,7-dimethoxyquinazoline;4-propylpiperidine
CID 161109692
tert-butyl N-[[4-methyl-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]methyl]carbamate
CID 138989832
tert-butyl (2R,5S)-2,5-dimethyl-4-(8-phenylquinazolin-4-yl)piperazine-1-carboxylate
CID 177369017
tert-butyl N-[2-oxo-2-(4-pyrido[2,3-d]pyrimidin-4-ylpiperazin-1-yl)ethyl]carbamate
CID 174664106
tert-butyl N-[2-[1-(4-ethoxyphenyl)pyrrolidin-3-yl]ethyl]carbamate
CID 83982069

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[1-(8-methoxyquinazolin-4-yl)azetidin-3-yl]ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[1-(8-methoxyquinazolin-4-yl)azetidin-3-yl]ethyl]carbamate (CID 163275284) is tert-butyl N-[2-[1-(8-methoxyquinazolin-4-yl)azetidin-3-yl]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[1-(8-methoxyquinazolin-4-yl)azetidin-3-yl]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[1-(8-methoxyquinazolin-4-yl)azetidin-3-yl]ethyl]carbamate is COc1cccc2c(N3CC(CCNC(=O)OC(C)(C)C)C3)ncnc12.
What is the InChIKey of tert-butyl N-[2-[1-(8-methoxyquinazolin-4-yl)azetidin-3-yl]ethyl]carbamate?
The InChIKey is HMJBMALHJMSXLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O3/c1-19(2,3)26-18(24)20-9-8-13-10-23(11-13)17-14-6-5-7-15(25-4)16(14)21-12-22-17/h5-7,12-13H,8-11H2,1-4H3,(H,20,24).
What are the key properties of tert-butyl N-[2-[1-(8-methoxyquinazolin-4-yl)azetidin-3-yl]ethyl]carbamate?
tert-butyl N-[2-[1-(8-methoxyquinazolin-4-yl)azetidin-3-yl]ethyl]carbamate has a molecular weight of 358.44 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[1-(8-methoxyquinazolin-4-yl)azetidin-3-yl]ethyl]carbamate is sourced from PubChem (CID 163275284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).