3-(3-fluorophenyl)-1-methylquinazoline-2,4-dione

C15H11FN2O2 — CID 56697661

IUPAC3-(3-fluorophenyl)-1-methylquinazoline-2,4-dione
SMILESCn1c(=O)n(-c2cccc(F)c2)c(=O)c2ccccc21
InChIInChI=1S/C15H11FN2O2/c1-17-13-8-3-2-7-12(13)14(19)18(15(17)20)11-6-4-5-10(16)9-11/h2-9H,1H3
InChIKeyPKNWPQKUZRVMLV-UHFFFAOYSA-N
MW270.26 g/mol
LogP1.83
Rot. Bonds1

About 3-(3-fluorophenyl)-1-methylquinazoline-2,4-dione

3-(3-fluorophenyl)-1-methylquinazoline-2,4-dione (PubChem CID 56697661) has the molecular formula C15H11FN2O2 and a molecular weight of 270.26 g/mol. Its IUPAC name is 3-(3-fluorophenyl)-1-methylquinazoline-2,4-dione.

Molecular Properties

Compound Name3-(3-fluorophenyl)-1-methylquinazoline-2,4-dione
PubChem CID56697661
Molecular FormulaC15H11FN2O2
Molecular Weight270.26 g/mol
Exact Mass270.08
IUPAC Name3-(3-fluorophenyl)-1-methylquinazoline-2,4-dione
SMILESCn1c(=O)n(-c2cccc(F)c2)c(=O)c2ccccc21
InChIInChI=1S/C15H11FN2O2/c1-17-13-8-3-2-7-12(13)14(19)18(15(17)20)11-6-4-5-10(16)9-11/h2-9H,1H3
InChIKeyPKNWPQKUZRVMLV-UHFFFAOYSA-N
XLogP1.83
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.26
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-iodophenyl)-1-methylquinazoline-2,4-dione
CID 58915061
1-methyl-3-naphthalen-1-ylquinazoline-2,4-dione
CID 132821171
5-(3-fluorophenyl)quinolino[4,3-b]quinoxalin-6-one
CID 177439248
3-[2,6-difluoro-4-(2-phenylethynyl)phenyl]-1-methylquinazoline-2,4-dione
CID 121482196
1-(3-fluorophenyl)-2H-indazol-3-one
CID 122394958
methyl 2-[[2-[3-(3-fluorophenyl)-2,4-dioxoquinazolin-1-yl]acetyl]amino]benzoate
CID 15994277
1-(3-aminophenyl)-3-methylbenzimidazol-2-one
CID 82513370
3-[3-[(2,6-difluorophenyl)methoxy]phenyl]-1-methylpyrido[3,4-d]pyrimidine-2,4-dione
CID 118192678
1-bromo-9-(3-fluorophenyl)carbazole
CID 142752208
2-[4-[1-[(3-fluorophenyl)methyl]-2,4-dioxoquinazolin-3-yl]phenyl]-N-methylacetamide
CID 50763161
1-[3-(aminomethyl)phenyl]-3-methylbenzimidazol-2-one
CID 82513929
3-(3-chlorophenyl)-1-[(4-methylphenyl)methyl]quinazoline-2,4-dione
CID 17147921

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)-1-methylquinazoline-2,4-dione?
The IUPAC name of 3-(3-fluorophenyl)-1-methylquinazoline-2,4-dione (CID 56697661) is 3-(3-fluorophenyl)-1-methylquinazoline-2,4-dione.
What is the SMILES notation for 3-(3-fluorophenyl)-1-methylquinazoline-2,4-dione?
The canonical SMILES for 3-(3-fluorophenyl)-1-methylquinazoline-2,4-dione is Cn1c(=O)n(-c2cccc(F)c2)c(=O)c2ccccc21.
What is the InChIKey of 3-(3-fluorophenyl)-1-methylquinazoline-2,4-dione?
The InChIKey is PKNWPQKUZRVMLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN2O2/c1-17-13-8-3-2-7-12(13)14(19)18(15(17)20)11-6-4-5-10(16)9-11/h2-9H,1H3.
What are the key properties of 3-(3-fluorophenyl)-1-methylquinazoline-2,4-dione?
3-(3-fluorophenyl)-1-methylquinazoline-2,4-dione has a molecular weight of 270.26 g/mol, XLogP of 1.83, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenyl)-1-methylquinazoline-2,4-dione is sourced from PubChem (CID 56697661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).