6-fluoro-1-(3-fluorophenyl)-3-hydroxy-7-pyrrolidin-1-ylquinazoline-2,4-dione

C18H15F2N3O3 — CID 22633021

IUPAC6-fluoro-1-(3-fluorophenyl)-3-hydroxy-7-pyrrolidin-1-ylquinazoline-2,4-dione
SMILESO=c1c2cc(F)c(N3CCCC3)cc2n(-c2cccc(F)c2)c(=O)n1O
InChIInChI=1S/C18H15F2N3O3/c19-11-4-3-5-12(8-11)22-15-10-16(21-6-1-2-7-21)14(20)9-13(15)17(24)23(26)18(22)25/h3-5,8-10,26H,1-2,6-7H2
InChIKeyYYYDBFPCMPJXRA-UHFFFAOYSA-N
MW359.33 g/mol
LogP2.27
Rot. Bonds2

About 6-fluoro-1-(3-fluorophenyl)-3-hydroxy-7-pyrrolidin-1-ylquinazoline-2,4-dione

6-fluoro-1-(3-fluorophenyl)-3-hydroxy-7-pyrrolidin-1-ylquinazoline-2,4-dione (PubChem CID 22633021) has the molecular formula C18H15F2N3O3 and a molecular weight of 359.33 g/mol. Its IUPAC name is 6-fluoro-1-(3-fluorophenyl)-3-hydroxy-7-pyrrolidin-1-ylquinazoline-2,4-dione.

Molecular Properties

Compound Name6-fluoro-1-(3-fluorophenyl)-3-hydroxy-7-pyrrolidin-1-ylquinazoline-2,4-dione
PubChem CID22633021
Molecular FormulaC18H15F2N3O3
Molecular Weight359.33 g/mol
Exact Mass359.11
IUPAC Name6-fluoro-1-(3-fluorophenyl)-3-hydroxy-7-pyrrolidin-1-ylquinazoline-2,4-dione
SMILESO=c1c2cc(F)c(N3CCCC3)cc2n(-c2cccc(F)c2)c(=O)n1O
InChIInChI=1S/C18H15F2N3O3/c19-11-4-3-5-12(8-11)22-15-10-16(21-6-1-2-7-21)14(20)9-13(15)17(24)23(26)18(22)25/h3-5,8-10,26H,1-2,6-7H2
InChIKeyYYYDBFPCMPJXRA-UHFFFAOYSA-N
XLogP2.27
TPSA67.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.33
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

6-fluoro-3-hydroxy-1-(4-methoxyphenyl)-7-pyrrolidin-1-ylquinazoline-2,4-dione
CID 22632945
6-fluoro-3-hydroxy-7-pyrrolidin-1-yl-1-[3-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidine-2,4-dione
CID 22633025
6-(2,4-difluorophenyl)-1-hydroxy-3-[3-(trifluoromethyl)phenyl]quinazoline-2,4-dione
CID 171392025
2,7-difluoro-10-methyl-3,6-di(piperidin-1-yl)acridin-9-one
CID 56956863
3-(3-fluorophenyl)-1-methylquinazoline-2,4-dione
CID 56697661
1-(2,5-difluorophenyl)piperidine
CID 22638080
6-bromo-5-fluoro-1-phenyl-3-piperidin-1-ylindole-2-carboxylic acid
CID 155377036
(4-fluoro-2-pyrrolidin-1-ylphenyl)boronic acid
CID 147882960
2,7-difluoro-3,6-di(piperidin-1-yl)xanthen-9-one
CID 56956701
3-fluoro-N-(5-fluoro-2-pyrrolidin-1-ylphenyl)benzamide
CID 113092337
6-fluoro-1-(4-fluorophenyl)-7-(4-methylpiperazin-1-yl)quinolin-4-one
CID 141216800
1-(3,5-difluorophenyl)pyrrolidine
CID 18454792

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-1-(3-fluorophenyl)-3-hydroxy-7-pyrrolidin-1-ylquinazoline-2,4-dione?
The IUPAC name of 6-fluoro-1-(3-fluorophenyl)-3-hydroxy-7-pyrrolidin-1-ylquinazoline-2,4-dione (CID 22633021) is 6-fluoro-1-(3-fluorophenyl)-3-hydroxy-7-pyrrolidin-1-ylquinazoline-2,4-dione.
What is the SMILES notation for 6-fluoro-1-(3-fluorophenyl)-3-hydroxy-7-pyrrolidin-1-ylquinazoline-2,4-dione?
The canonical SMILES for 6-fluoro-1-(3-fluorophenyl)-3-hydroxy-7-pyrrolidin-1-ylquinazoline-2,4-dione is O=c1c2cc(F)c(N3CCCC3)cc2n(-c2cccc(F)c2)c(=O)n1O.
What is the InChIKey of 6-fluoro-1-(3-fluorophenyl)-3-hydroxy-7-pyrrolidin-1-ylquinazoline-2,4-dione?
The InChIKey is YYYDBFPCMPJXRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F2N3O3/c19-11-4-3-5-12(8-11)22-15-10-16(21-6-1-2-7-21)14(20)9-13(15)17(24)23(26)18(22)25/h3-5,8-10,26H,1-2,6-7H2.
What are the key properties of 6-fluoro-1-(3-fluorophenyl)-3-hydroxy-7-pyrrolidin-1-ylquinazoline-2,4-dione?
6-fluoro-1-(3-fluorophenyl)-3-hydroxy-7-pyrrolidin-1-ylquinazoline-2,4-dione has a molecular weight of 359.33 g/mol, XLogP of 2.27, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-1-(3-fluorophenyl)-3-hydroxy-7-pyrrolidin-1-ylquinazoline-2,4-dione is sourced from PubChem (CID 22633021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).