methyl 3-quinazolin-8-yloxycyclobutane-1-carboxylate

C14H14N2O3 — CID 139369178

IUPACmethyl 3-quinazolin-8-yloxycyclobutane-1-carboxylate
SMILESCOC(=O)C1CC(Oc2cccc3cncnc23)C1
InChIInChI=1S/C14H14N2O3/c1-18-14(17)10-5-11(6-10)19-12-4-2-3-9-7-15-8-16-13(9)12/h2-4,7-8,10-11H,5-6H2,1H3
InChIKeyJJFGCROHSUPBLK-UHFFFAOYSA-N
MW258.28 g/mol
LogP1.96
Rot. Bonds3

About methyl 3-quinazolin-8-yloxycyclobutane-1-carboxylate

methyl 3-quinazolin-8-yloxycyclobutane-1-carboxylate (PubChem CID 139369178) has the molecular formula C14H14N2O3 and a molecular weight of 258.28 g/mol. Its IUPAC name is methyl 3-quinazolin-8-yloxycyclobutane-1-carboxylate.

Molecular Properties

Compound Namemethyl 3-quinazolin-8-yloxycyclobutane-1-carboxylate
PubChem CID139369178
Molecular FormulaC14H14N2O3
Molecular Weight258.28 g/mol
Exact Mass258.10
IUPAC Namemethyl 3-quinazolin-8-yloxycyclobutane-1-carboxylate
SMILESCOC(=O)C1CC(Oc2cccc3cncnc23)C1
InChIInChI=1S/C14H14N2O3/c1-18-14(17)10-5-11(6-10)19-12-4-2-3-9-7-15-8-16-13(9)12/h2-4,7-8,10-11H,5-6H2,1H3
InChIKeyJJFGCROHSUPBLK-UHFFFAOYSA-N
XLogP1.96
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 3-quinazolin-8-yloxycyclobutane-1-carboxylate?
The IUPAC name of methyl 3-quinazolin-8-yloxycyclobutane-1-carboxylate (CID 139369178) is methyl 3-quinazolin-8-yloxycyclobutane-1-carboxylate.
What is the SMILES notation for methyl 3-quinazolin-8-yloxycyclobutane-1-carboxylate?
The canonical SMILES for methyl 3-quinazolin-8-yloxycyclobutane-1-carboxylate is COC(=O)C1CC(Oc2cccc3cncnc23)C1.
What is the InChIKey of methyl 3-quinazolin-8-yloxycyclobutane-1-carboxylate?
The InChIKey is JJFGCROHSUPBLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3/c1-18-14(17)10-5-11(6-10)19-12-4-2-3-9-7-15-8-16-13(9)12/h2-4,7-8,10-11H,5-6H2,1H3.
What are the key properties of methyl 3-quinazolin-8-yloxycyclobutane-1-carboxylate?
methyl 3-quinazolin-8-yloxycyclobutane-1-carboxylate has a molecular weight of 258.28 g/mol, XLogP of 1.96, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-quinazolin-8-yloxycyclobutane-1-carboxylate is sourced from PubChem (CID 139369178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).