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

C12H14N2O2 — CID 2894534

IUPAC3-(3-hydroxypropyl)-2-methylquinazolin-4-one
SMILESCc1nc2ccccc2c(=O)n1CCCO
InChIInChI=1S/C12H14N2O2/c1-9-13-11-6-3-2-5-10(11)12(16)14(9)7-4-8-15/h2-3,5-6,15H,4,7-8H2,1H3
InChIKeySKYBQLOFXJZRTN-UHFFFAOYSA-N
MW218.26 g/mol
LogP1.09
Rot. Bonds3

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

3-(3-hydroxypropyl)-2-methylquinazolin-4-one (PubChem CID 2894534) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is 3-(3-hydroxypropyl)-2-methylquinazolin-4-one.

Molecular Properties

Compound Name3-(3-hydroxypropyl)-2-methylquinazolin-4-one
PubChem CID2894534
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC Name3-(3-hydroxypropyl)-2-methylquinazolin-4-one
SMILESCc1nc2ccccc2c(=O)n1CCCO
InChIInChI=1S/C12H14N2O2/c1-9-13-11-6-3-2-5-10(11)12(16)14(9)7-4-8-15/h2-3,5-6,15H,4,7-8H2,1H3
InChIKeySKYBQLOFXJZRTN-UHFFFAOYSA-N
XLogP1.09
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
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-(3-hydroxypropyl)-2-methylquinazolin-4-one?
The IUPAC name of 3-(3-hydroxypropyl)-2-methylquinazolin-4-one (CID 2894534) is 3-(3-hydroxypropyl)-2-methylquinazolin-4-one.
What is the SMILES notation for 3-(3-hydroxypropyl)-2-methylquinazolin-4-one?
The canonical SMILES for 3-(3-hydroxypropyl)-2-methylquinazolin-4-one is Cc1nc2ccccc2c(=O)n1CCCO.
What is the InChIKey of 3-(3-hydroxypropyl)-2-methylquinazolin-4-one?
The InChIKey is SKYBQLOFXJZRTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2/c1-9-13-11-6-3-2-5-10(11)12(16)14(9)7-4-8-15/h2-3,5-6,15H,4,7-8H2,1H3.
What are the key properties of 3-(3-hydroxypropyl)-2-methylquinazolin-4-one?
3-(3-hydroxypropyl)-2-methylquinazolin-4-one has a molecular weight of 218.26 g/mol, XLogP of 1.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-hydroxypropyl)-2-methylquinazolin-4-one is sourced from PubChem (CID 2894534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).