3-(2-hydroxypropyl)-7-methylquinazolin-4-one

C12H14N2O2 — CID 117264166

IUPAC3-(2-hydroxypropyl)-7-methylquinazolin-4-one
SMILESCc1ccc2c(=O)n(CC(C)O)cnc2c1
InChIInChI=1S/C12H14N2O2/c1-8-3-4-10-11(5-8)13-7-14(12(10)16)6-9(2)15/h3-5,7,9,15H,6H2,1-2H3
InChIKeyMDUYAJIULZYVQW-UHFFFAOYSA-N
MW218.26 g/mol
LogP1.09
Rot. Bonds2

About 3-(2-hydroxypropyl)-7-methylquinazolin-4-one

3-(2-hydroxypropyl)-7-methylquinazolin-4-one (PubChem CID 117264166) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is 3-(2-hydroxypropyl)-7-methylquinazolin-4-one.

Molecular Properties

Compound Name3-(2-hydroxypropyl)-7-methylquinazolin-4-one
PubChem CID117264166
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC Name3-(2-hydroxypropyl)-7-methylquinazolin-4-one
SMILESCc1ccc2c(=O)n(CC(C)O)cnc2c1
InChIInChI=1S/C12H14N2O2/c1-8-3-4-10-11(5-8)13-7-14(12(10)16)6-9(2)15/h3-5,7,9,15H,6H2,1-2H3
InChIKeyMDUYAJIULZYVQW-UHFFFAOYSA-N
XLogP1.09
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxypropyl)-7-methylquinazolin-4-one?
The IUPAC name of 3-(2-hydroxypropyl)-7-methylquinazolin-4-one (CID 117264166) is 3-(2-hydroxypropyl)-7-methylquinazolin-4-one.
What is the SMILES notation for 3-(2-hydroxypropyl)-7-methylquinazolin-4-one?
The canonical SMILES for 3-(2-hydroxypropyl)-7-methylquinazolin-4-one is Cc1ccc2c(=O)n(CC(C)O)cnc2c1.
What is the InChIKey of 3-(2-hydroxypropyl)-7-methylquinazolin-4-one?
The InChIKey is MDUYAJIULZYVQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2/c1-8-3-4-10-11(5-8)13-7-14(12(10)16)6-9(2)15/h3-5,7,9,15H,6H2,1-2H3.
What are the key properties of 3-(2-hydroxypropyl)-7-methylquinazolin-4-one?
3-(2-hydroxypropyl)-7-methylquinazolin-4-one has a molecular weight of 218.26 g/mol, XLogP of 1.09, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxypropyl)-7-methylquinazolin-4-one is sourced from PubChem (CID 117264166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).