2-(2-methyloxan-2-yl)-7,8-dihydro-6H-quinazolin-5-one

C14H18N2O2 — CID 80680939

IUPAC2-(2-methyloxan-2-yl)-7,8-dihydro-6H-quinazolin-5-one
SMILESCC1(c2ncc3c(n2)CCCC3=O)CCCCO1
InChIInChI=1S/C14H18N2O2/c1-14(7-2-3-8-18-14)13-15-9-10-11(16-13)5-4-6-12(10)17/h9H,2-8H2,1H3
InChIKeyPULMWPAVIQIVIW-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.41
Rot. Bonds1

About 2-(2-methyloxan-2-yl)-7,8-dihydro-6H-quinazolin-5-one

2-(2-methyloxan-2-yl)-7,8-dihydro-6H-quinazolin-5-one (PubChem CID 80680939) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 2-(2-methyloxan-2-yl)-7,8-dihydro-6H-quinazolin-5-one.

Molecular Properties

Compound Name2-(2-methyloxan-2-yl)-7,8-dihydro-6H-quinazolin-5-one
PubChem CID80680939
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name2-(2-methyloxan-2-yl)-7,8-dihydro-6H-quinazolin-5-one
SMILESCC1(c2ncc3c(n2)CCCC3=O)CCCCO1
InChIInChI=1S/C14H18N2O2/c1-14(7-2-3-8-18-14)13-15-9-10-11(16-13)5-4-6-12(10)17/h9H,2-8H2,1H3
InChIKeyPULMWPAVIQIVIW-UHFFFAOYSA-N
XLogP2.41
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(2-methyloxan-2-yl)-7,8-dihydro-6H-quinazolin-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyloxan-2-yl)-7,8-dihydro-6H-quinazolin-5-one?
The IUPAC name of 2-(2-methyloxan-2-yl)-7,8-dihydro-6H-quinazolin-5-one (CID 80680939) is 2-(2-methyloxan-2-yl)-7,8-dihydro-6H-quinazolin-5-one.
What is the SMILES notation for 2-(2-methyloxan-2-yl)-7,8-dihydro-6H-quinazolin-5-one?
The canonical SMILES for 2-(2-methyloxan-2-yl)-7,8-dihydro-6H-quinazolin-5-one is CC1(c2ncc3c(n2)CCCC3=O)CCCCO1.
What is the InChIKey of 2-(2-methyloxan-2-yl)-7,8-dihydro-6H-quinazolin-5-one?
The InChIKey is PULMWPAVIQIVIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-14(7-2-3-8-18-14)13-15-9-10-11(16-13)5-4-6-12(10)17/h9H,2-8H2,1H3.
What are the key properties of 2-(2-methyloxan-2-yl)-7,8-dihydro-6H-quinazolin-5-one?
2-(2-methyloxan-2-yl)-7,8-dihydro-6H-quinazolin-5-one has a molecular weight of 246.31 g/mol, XLogP of 2.41, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyloxan-2-yl)-7,8-dihydro-6H-quinazolin-5-one is sourced from PubChem (CID 80680939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).