6-[3-(2,2-difluoroethoxy)-1-hydroxypropyl]-3-methyl-1,4-dihydroquinazolin-2-one

C14H18F2N2O3 — CID 103210429

IUPAC6-[3-(2,2-difluoroethoxy)-1-hydroxypropyl]-3-methyl-1,4-dihydroquinazolin-2-one
SMILESCN1Cc2cc(C(O)CCOCC(F)F)ccc2NC1=O
InChIInChI=1S/C14H18F2N2O3/c1-18-7-10-6-9(2-3-11(10)17-14(18)20)12(19)4-5-21-8-13(15)16/h2-3,6,12-13,19H,4-5,7-8H2,1H3,(H,17,20)
InChIKeyIONMGIIRCYQAQG-UHFFFAOYSA-N
MW300.31 g/mol
LogP2.37
Rot. Bonds6

About 6-[3-(2,2-difluoroethoxy)-1-hydroxypropyl]-3-methyl-1,4-dihydroquinazolin-2-one

6-[3-(2,2-difluoroethoxy)-1-hydroxypropyl]-3-methyl-1,4-dihydroquinazolin-2-one (PubChem CID 103210429) has the molecular formula C14H18F2N2O3 and a molecular weight of 300.31 g/mol. Its IUPAC name is 6-[3-(2,2-difluoroethoxy)-1-hydroxypropyl]-3-methyl-1,4-dihydroquinazolin-2-one.

Molecular Properties

Compound Name6-[3-(2,2-difluoroethoxy)-1-hydroxypropyl]-3-methyl-1,4-dihydroquinazolin-2-one
PubChem CID103210429
Molecular FormulaC14H18F2N2O3
Molecular Weight300.31 g/mol
Exact Mass300.13
IUPAC Name6-[3-(2,2-difluoroethoxy)-1-hydroxypropyl]-3-methyl-1,4-dihydroquinazolin-2-one
SMILESCN1Cc2cc(C(O)CCOCC(F)F)ccc2NC1=O
InChIInChI=1S/C14H18F2N2O3/c1-18-7-10-6-9(2-3-11(10)17-14(18)20)12(19)4-5-21-8-13(15)16/h2-3,6,12-13,19H,4-5,7-8H2,1H3,(H,17,20)
InChIKeyIONMGIIRCYQAQG-UHFFFAOYSA-N
XLogP2.37
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.31
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 6-[3-(2,2-difluoroethoxy)-1-hydroxypropyl]-3-methyl-1,4-dihydroquinazolin-2-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 6-[3-(2,2-difluoroethoxy)-1-hydroxypropyl]-3-methyl-1,4-dihydroquinazolin-2-one?
The IUPAC name of 6-[3-(2,2-difluoroethoxy)-1-hydroxypropyl]-3-methyl-1,4-dihydroquinazolin-2-one (CID 103210429) is 6-[3-(2,2-difluoroethoxy)-1-hydroxypropyl]-3-methyl-1,4-dihydroquinazolin-2-one.
What is the SMILES notation for 6-[3-(2,2-difluoroethoxy)-1-hydroxypropyl]-3-methyl-1,4-dihydroquinazolin-2-one?
The canonical SMILES for 6-[3-(2,2-difluoroethoxy)-1-hydroxypropyl]-3-methyl-1,4-dihydroquinazolin-2-one is CN1Cc2cc(C(O)CCOCC(F)F)ccc2NC1=O.
What is the InChIKey of 6-[3-(2,2-difluoroethoxy)-1-hydroxypropyl]-3-methyl-1,4-dihydroquinazolin-2-one?
The InChIKey is IONMGIIRCYQAQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2N2O3/c1-18-7-10-6-9(2-3-11(10)17-14(18)20)12(19)4-5-21-8-13(15)16/h2-3,6,12-13,19H,4-5,7-8H2,1H3,(H,17,20).
What are the key properties of 6-[3-(2,2-difluoroethoxy)-1-hydroxypropyl]-3-methyl-1,4-dihydroquinazolin-2-one?
6-[3-(2,2-difluoroethoxy)-1-hydroxypropyl]-3-methyl-1,4-dihydroquinazolin-2-one has a molecular weight of 300.31 g/mol, XLogP of 2.37, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(2,2-difluoroethoxy)-1-hydroxypropyl]-3-methyl-1,4-dihydroquinazolin-2-one is sourced from PubChem (CID 103210429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).