3-[1-(4-chlorophenyl)cyclopropyl]-7-fluoro-1H-quinazoline-2,4-dione

C17H12ClFN2O2 — CID 118499566

IUPAC3-[1-(4-chlorophenyl)cyclopropyl]-7-fluoro-1H-quinazoline-2,4-dione
SMILESO=c1[nH]c2cc(F)ccc2c(=O)n1C1(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C17H12ClFN2O2/c18-11-3-1-10(2-4-11)17(7-8-17)21-15(22)13-6-5-12(19)9-14(13)20-16(21)23/h1-6,9H,7-8H2,(H,20,23)
InChIKeyWPIJYLMLSJDJEA-UHFFFAOYSA-N
MW330.75 g/mol
LogP3.02
Rot. Bonds2

About 3-[1-(4-chlorophenyl)cyclopropyl]-7-fluoro-1H-quinazoline-2,4-dione

3-[1-(4-chlorophenyl)cyclopropyl]-7-fluoro-1H-quinazoline-2,4-dione (PubChem CID 118499566) has the molecular formula C17H12ClFN2O2 and a molecular weight of 330.75 g/mol. Its IUPAC name is 3-[1-(4-chlorophenyl)cyclopropyl]-7-fluoro-1H-quinazoline-2,4-dione.

Molecular Properties

Compound Name3-[1-(4-chlorophenyl)cyclopropyl]-7-fluoro-1H-quinazoline-2,4-dione
PubChem CID118499566
Molecular FormulaC17H12ClFN2O2
Molecular Weight330.75 g/mol
Exact Mass330.06
IUPAC Name3-[1-(4-chlorophenyl)cyclopropyl]-7-fluoro-1H-quinazoline-2,4-dione
SMILESO=c1[nH]c2cc(F)ccc2c(=O)n1C1(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C17H12ClFN2O2/c18-11-3-1-10(2-4-11)17(7-8-17)21-15(22)13-6-5-12(19)9-14(13)20-16(21)23/h1-6,9H,7-8H2,(H,20,23)
InChIKeyWPIJYLMLSJDJEA-UHFFFAOYSA-N
XLogP3.02
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.75
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1,1-dioxothian-4-yl)-7-fluoro-1H-quinazoline-2,4-dione
CID 117261520
7-fluoro-3-(furan-2-yl)-1H-quinazoline-2,4-dione
CID 117261551
7-fluoro-3-thiophen-2-yl-1H-quinazoline-2,4-dione
CID 117261558
3-(3-chlorophenyl)-6-fluoro-1H-benzimidazol-2-one
CID 110491173
7-chloro-3-propan-2-yl-1H-quinazoline-2,4-dione
CID 117261622
7-chloro-3-[(1R)-1-(4-chlorophenyl)ethyl]-6-fluoro-1H-quinazoline-2,4-dione
CID 118498703
7-chloro-3-(1-methylpiperidin-4-yl)-1H-quinazoline-2,4-dione
CID 117261525
7-chloro-3-[3-(methylamino)propyl]-1H-quinazoline-2,4-dione
CID 117263030
7-[[4-(2,4-difluorophenyl)piperazin-1-yl]methyl]-3-ethyl-1H-quinazoline-2,4-dione
CID 168900151
7-chloro-3-(2-oxopropyl)-1H-quinazoline-2,4-dione
CID 117262781
7-fluoro-2,3,4,9-tetrahydropyrido[3,4-b]indol-1-one
CID 84739792
7-chloro-3-(thiolan-3-yl)-1H-quinazoline-2,4-dione
CID 117261485

Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-chlorophenyl)cyclopropyl]-7-fluoro-1H-quinazoline-2,4-dione?
The IUPAC name of 3-[1-(4-chlorophenyl)cyclopropyl]-7-fluoro-1H-quinazoline-2,4-dione (CID 118499566) is 3-[1-(4-chlorophenyl)cyclopropyl]-7-fluoro-1H-quinazoline-2,4-dione.
What is the SMILES notation for 3-[1-(4-chlorophenyl)cyclopropyl]-7-fluoro-1H-quinazoline-2,4-dione?
The canonical SMILES for 3-[1-(4-chlorophenyl)cyclopropyl]-7-fluoro-1H-quinazoline-2,4-dione is O=c1[nH]c2cc(F)ccc2c(=O)n1C1(c2ccc(Cl)cc2)CC1.
What is the InChIKey of 3-[1-(4-chlorophenyl)cyclopropyl]-7-fluoro-1H-quinazoline-2,4-dione?
The InChIKey is WPIJYLMLSJDJEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClFN2O2/c18-11-3-1-10(2-4-11)17(7-8-17)21-15(22)13-6-5-12(19)9-14(13)20-16(21)23/h1-6,9H,7-8H2,(H,20,23).
What are the key properties of 3-[1-(4-chlorophenyl)cyclopropyl]-7-fluoro-1H-quinazoline-2,4-dione?
3-[1-(4-chlorophenyl)cyclopropyl]-7-fluoro-1H-quinazoline-2,4-dione has a molecular weight of 330.75 g/mol, XLogP of 3.02, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-chlorophenyl)cyclopropyl]-7-fluoro-1H-quinazoline-2,4-dione is sourced from PubChem (CID 118499566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).