oxetan-3-yl N-methyl-N-(1-quinazolin-4-ylpiperidin-4-yl)carbamate

C18H22N4O3 — CID 167984115

IUPACoxetan-3-yl N-methyl-N-(1-quinazolin-4-ylpiperidin-4-yl)carbamate
SMILESCN(C(=O)OC1COC1)C1CCN(c2ncnc3ccccc23)CC1
InChIInChI=1S/C18H22N4O3/c1-21(18(23)25-14-10-24-11-14)13-6-8-22(9-7-13)17-15-4-2-3-5-16(15)19-12-20-17/h2-5,12-14H,6-11H2,1H3
InChIKeyARZCFDYGKNRXBL-UHFFFAOYSA-N
MW342.40 g/mol
LogP2.07
Rot. Bonds3

About oxetan-3-yl N-methyl-N-(1-quinazolin-4-ylpiperidin-4-yl)carbamate

oxetan-3-yl N-methyl-N-(1-quinazolin-4-ylpiperidin-4-yl)carbamate (PubChem CID 167984115) has the molecular formula C18H22N4O3 and a molecular weight of 342.40 g/mol. Its IUPAC name is oxetan-3-yl N-methyl-N-(1-quinazolin-4-ylpiperidin-4-yl)carbamate.

Molecular Properties

Compound Nameoxetan-3-yl N-methyl-N-(1-quinazolin-4-ylpiperidin-4-yl)carbamate
PubChem CID167984115
Molecular FormulaC18H22N4O3
Molecular Weight342.40 g/mol
Exact Mass342.17
IUPAC Nameoxetan-3-yl N-methyl-N-(1-quinazolin-4-ylpiperidin-4-yl)carbamate
SMILESCN(C(=O)OC1COC1)C1CCN(c2ncnc3ccccc23)CC1
InChIInChI=1S/C18H22N4O3/c1-21(18(23)25-14-10-24-11-14)13-6-8-22(9-7-13)17-15-4-2-3-5-16(15)19-12-20-17/h2-5,12-14H,6-11H2,1H3
InChIKeyARZCFDYGKNRXBL-UHFFFAOYSA-N
XLogP2.07
TPSA67.79 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

piperidin-4-yl N-methyl-N-(1-quinazolin-4-ylpyrrolidin-3-yl)carbamate
CID 143957233
N-(1-quinazolin-4-ylpiperidin-4-yl)morpholine-4-carboxamide
CID 175650217
N-methyl-1-phenyl-N-(1-quinazolin-4-ylpyrrolidin-3-yl)methanesulfonamide
CID 154883300
4-(4-benzylpiperidin-1-yl)quinazoline
CID 1413843
1-methyl-4-quinazolin-4-ylpiperazine-2-carboxylic acid
CID 178170042
tert-butyl N-methyl-N-(1-quinolin-4-ylpiperidin-4-yl)carbamate
CID 172826509
4-[4-(1-chloroethyl)piperidin-1-yl]quinazoline
CID 106838537
N-(cyclopropylmethyl)-1-quinazolin-4-ylpiperidin-4-amine
CID 115307565
4-(azepan-1-yl)quinazoline
CID 5207391
4-[methyl(quinazolin-4-yl)amino]oxolane-3-carboxylic acid
CID 66235767
N-(2-hydroxyethyl)-1-quinazolin-4-ylpiperidine-4-carboxamide
CID 47807499
4-quinazolin-4-ylthiomorpholine;urea
CID 171802297

Frequently Asked Questions

What is the IUPAC name of oxetan-3-yl N-methyl-N-(1-quinazolin-4-ylpiperidin-4-yl)carbamate?
The IUPAC name of oxetan-3-yl N-methyl-N-(1-quinazolin-4-ylpiperidin-4-yl)carbamate (CID 167984115) is oxetan-3-yl N-methyl-N-(1-quinazolin-4-ylpiperidin-4-yl)carbamate.
What is the SMILES notation for oxetan-3-yl N-methyl-N-(1-quinazolin-4-ylpiperidin-4-yl)carbamate?
The canonical SMILES for oxetan-3-yl N-methyl-N-(1-quinazolin-4-ylpiperidin-4-yl)carbamate is CN(C(=O)OC1COC1)C1CCN(c2ncnc3ccccc23)CC1.
What is the InChIKey of oxetan-3-yl N-methyl-N-(1-quinazolin-4-ylpiperidin-4-yl)carbamate?
The InChIKey is ARZCFDYGKNRXBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3/c1-21(18(23)25-14-10-24-11-14)13-6-8-22(9-7-13)17-15-4-2-3-5-16(15)19-12-20-17/h2-5,12-14H,6-11H2,1H3.
What are the key properties of oxetan-3-yl N-methyl-N-(1-quinazolin-4-ylpiperidin-4-yl)carbamate?
oxetan-3-yl N-methyl-N-(1-quinazolin-4-ylpiperidin-4-yl)carbamate has a molecular weight of 342.40 g/mol, XLogP of 2.07, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for oxetan-3-yl N-methyl-N-(1-quinazolin-4-ylpiperidin-4-yl)carbamate is sourced from PubChem (CID 167984115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).