2-methyl-3-(oxolan-2-ylmethyl)quinazolin-4-one

C14H16N2O2 — CID 3532242

IUPAC2-methyl-3-(oxolan-2-ylmethyl)quinazolin-4-one
SMILESCc1nc2ccccc2c(=O)n1CC1CCCO1
InChIInChI=1S/C14H16N2O2/c1-10-15-13-7-3-2-6-12(13)14(17)16(10)9-11-5-4-8-18-11/h2-3,6-7,11H,4-5,8-9H2,1H3
InChIKeyHMDVPASDTDGRNA-UHFFFAOYSA-N
MW244.29 g/mol
LogP1.88
Rot. Bonds2

About 2-methyl-3-(oxolan-2-ylmethyl)quinazolin-4-one

2-methyl-3-(oxolan-2-ylmethyl)quinazolin-4-one (PubChem CID 3532242) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is 2-methyl-3-(oxolan-2-ylmethyl)quinazolin-4-one.

Molecular Properties

Compound Name2-methyl-3-(oxolan-2-ylmethyl)quinazolin-4-one
PubChem CID3532242
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name2-methyl-3-(oxolan-2-ylmethyl)quinazolin-4-one
SMILESCc1nc2ccccc2c(=O)n1CC1CCCO1
InChIInChI=1S/C14H16N2O2/c1-10-15-13-7-3-2-6-12(13)14(17)16(10)9-11-5-4-8-18-11/h2-3,6-7,11H,4-5,8-9H2,1H3
InChIKeyHMDVPASDTDGRNA-UHFFFAOYSA-N
XLogP1.88
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(oxolan-2-ylmethyl)quinazolin-4-one?
The IUPAC name of 2-methyl-3-(oxolan-2-ylmethyl)quinazolin-4-one (CID 3532242) is 2-methyl-3-(oxolan-2-ylmethyl)quinazolin-4-one.
What is the SMILES notation for 2-methyl-3-(oxolan-2-ylmethyl)quinazolin-4-one?
The canonical SMILES for 2-methyl-3-(oxolan-2-ylmethyl)quinazolin-4-one is Cc1nc2ccccc2c(=O)n1CC1CCCO1.
What is the InChIKey of 2-methyl-3-(oxolan-2-ylmethyl)quinazolin-4-one?
The InChIKey is HMDVPASDTDGRNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-10-15-13-7-3-2-6-12(13)14(17)16(10)9-11-5-4-8-18-11/h2-3,6-7,11H,4-5,8-9H2,1H3.
What are the key properties of 2-methyl-3-(oxolan-2-ylmethyl)quinazolin-4-one?
2-methyl-3-(oxolan-2-ylmethyl)quinazolin-4-one has a molecular weight of 244.29 g/mol, XLogP of 1.88, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(oxolan-2-ylmethyl)quinazolin-4-one is sourced from PubChem (CID 3532242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).