2-[3-fluoro-4-(propan-2-yloxymethyl)phenyl]-3H-quinazolin-4-one

C18H17FN2O2 — CID 168551226

IUPAC2-[3-fluoro-4-(propan-2-yloxymethyl)phenyl]-3H-quinazolin-4-one
SMILESCC(C)OCc1ccc(-c2nc3ccccc3c(=O)[nH]2)cc1F
InChIInChI=1S/C18H17FN2O2/c1-11(2)23-10-13-8-7-12(9-15(13)19)17-20-16-6-4-3-5-14(16)18(22)21-17/h3-9,11H,10H2,1-2H3,(H,20,21,22)
InChIKeyKFLLCTBLJJGWGH-UHFFFAOYSA-N
MW312.34 g/mol
LogP3.65
Rot. Bonds4

About 2-[3-fluoro-4-(propan-2-yloxymethyl)phenyl]-3H-quinazolin-4-one

2-[3-fluoro-4-(propan-2-yloxymethyl)phenyl]-3H-quinazolin-4-one (PubChem CID 168551226) has the molecular formula C18H17FN2O2 and a molecular weight of 312.34 g/mol. Its IUPAC name is 2-[3-fluoro-4-(propan-2-yloxymethyl)phenyl]-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-[3-fluoro-4-(propan-2-yloxymethyl)phenyl]-3H-quinazolin-4-one
PubChem CID168551226
Molecular FormulaC18H17FN2O2
Molecular Weight312.34 g/mol
Exact Mass312.13
IUPAC Name2-[3-fluoro-4-(propan-2-yloxymethyl)phenyl]-3H-quinazolin-4-one
SMILESCC(C)OCc1ccc(-c2nc3ccccc3c(=O)[nH]2)cc1F
InChIInChI=1S/C18H17FN2O2/c1-11(2)23-10-13-8-7-12(9-15(13)19)17-20-16-6-4-3-5-14(16)18(22)21-17/h3-9,11H,10H2,1-2H3,(H,20,21,22)
InChIKeyKFLLCTBLJJGWGH-UHFFFAOYSA-N
XLogP3.65
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.34
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[3-fluoro-4-(propan-2-yloxymethyl)phenyl]-3H-quinazolin-4-one with MolForge

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

Launch Full Analysis

Related Compounds

2-[4-(propan-2-yloxymethyl)phenyl]-3H-quinazolin-4-one
CID 168551161
2-[3-(methoxymethyl)-4-propan-2-yloxyphenyl]-3H-quinazolin-4-one
CID 168551682
2-(3-butoxy-4-fluorophenyl)-3H-quinazolin-4-one
CID 168551083
2-(4-fluoro-3-pentoxyphenyl)-3H-quinazolin-4-one
CID 168551050
2-[3-[(4-fluorophenoxy)methyl]-4-methoxyphenyl]-3H-quinazolin-4-one
CID 168551388
2-(3-chloro-4-ethoxy-5-fluorophenyl)-3H-quinazolin-4-one
CID 168552141
2-[3-[(2-chloro-4-fluorophenyl)methoxy]-4-methoxyphenyl]-3H-quinazolin-4-one
CID 168551916
2-(4-bromophenyl)-3H-quinazolin-4-one
CID 135421564
2-[3-methoxy-4-(phenylsulfanylmethyl)phenyl]-3H-quinazolin-4-one
CID 168551572
2-[4-[(2,4-dichlorophenyl)methoxy]phenyl]-3H-quinazolin-4-one
CID 137085110
2-[4-methoxy-3-[(4-methoxyphenoxy)methyl]phenyl]-3H-quinazolin-4-one
CID 168551574
2-(4-ethoxy-3-methylphenyl)-3H-quinazolin-4-one
CID 168551046

Frequently Asked Questions

What is the IUPAC name of 2-[3-fluoro-4-(propan-2-yloxymethyl)phenyl]-3H-quinazolin-4-one?
The IUPAC name of 2-[3-fluoro-4-(propan-2-yloxymethyl)phenyl]-3H-quinazolin-4-one (CID 168551226) is 2-[3-fluoro-4-(propan-2-yloxymethyl)phenyl]-3H-quinazolin-4-one.
What is the SMILES notation for 2-[3-fluoro-4-(propan-2-yloxymethyl)phenyl]-3H-quinazolin-4-one?
The canonical SMILES for 2-[3-fluoro-4-(propan-2-yloxymethyl)phenyl]-3H-quinazolin-4-one is CC(C)OCc1ccc(-c2nc3ccccc3c(=O)[nH]2)cc1F.
What is the InChIKey of 2-[3-fluoro-4-(propan-2-yloxymethyl)phenyl]-3H-quinazolin-4-one?
The InChIKey is KFLLCTBLJJGWGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2O2/c1-11(2)23-10-13-8-7-12(9-15(13)19)17-20-16-6-4-3-5-14(16)18(22)21-17/h3-9,11H,10H2,1-2H3,(H,20,21,22).
What are the key properties of 2-[3-fluoro-4-(propan-2-yloxymethyl)phenyl]-3H-quinazolin-4-one?
2-[3-fluoro-4-(propan-2-yloxymethyl)phenyl]-3H-quinazolin-4-one has a molecular weight of 312.34 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-fluoro-4-(propan-2-yloxymethyl)phenyl]-3H-quinazolin-4-one is sourced from PubChem (CID 168551226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).