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

C19H18FN3O4 — CID 22632945

IUPAC6-fluoro-3-hydroxy-1-(4-methoxyphenyl)-7-pyrrolidin-1-ylquinazoline-2,4-dione
SMILESCOc1ccc(-n2c(=O)n(O)c(=O)c3cc(F)c(N4CCCC4)cc32)cc1
InChIInChI=1S/C19H18FN3O4/c1-27-13-6-4-12(5-7-13)22-16-11-17(21-8-2-3-9-21)15(20)10-14(16)18(24)23(26)19(22)25/h4-7,10-11,26H,2-3,8-9H2,1H3
InChIKeyUMGAYVVFQPXCGN-UHFFFAOYSA-N
MW371.37 g/mol
LogP2.14
Rot. Bonds3

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

6-fluoro-3-hydroxy-1-(4-methoxyphenyl)-7-pyrrolidin-1-ylquinazoline-2,4-dione (PubChem CID 22632945) has the molecular formula C19H18FN3O4 and a molecular weight of 371.37 g/mol. Its IUPAC name is 6-fluoro-3-hydroxy-1-(4-methoxyphenyl)-7-pyrrolidin-1-ylquinazoline-2,4-dione.

Molecular Properties

Compound Name6-fluoro-3-hydroxy-1-(4-methoxyphenyl)-7-pyrrolidin-1-ylquinazoline-2,4-dione
PubChem CID22632945
Molecular FormulaC19H18FN3O4
Molecular Weight371.37 g/mol
Exact Mass371.13
IUPAC Name6-fluoro-3-hydroxy-1-(4-methoxyphenyl)-7-pyrrolidin-1-ylquinazoline-2,4-dione
SMILESCOc1ccc(-n2c(=O)n(O)c(=O)c3cc(F)c(N4CCCC4)cc32)cc1
InChIInChI=1S/C19H18FN3O4/c1-27-13-6-4-12(5-7-13)22-16-11-17(21-8-2-3-9-21)15(20)10-14(16)18(24)23(26)19(22)25/h4-7,10-11,26H,2-3,8-9H2,1H3
InChIKeyUMGAYVVFQPXCGN-UHFFFAOYSA-N
XLogP2.14
TPSA76.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.37
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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

6-fluoro-1-(3-fluorophenyl)-3-hydroxy-7-pyrrolidin-1-ylquinazoline-2,4-dione
CID 22633021
6-fluoro-1-(4-methoxyphenyl)-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acid
CID 10715814
4-fluoro-5-[4-(4-methoxyphenyl)piperazin-1-yl]benzene-1,2-diamine
CID 11461237
1-(4-methoxyphenyl)piperidine
CID 10130315
N-(1,4-dimethyl-2,3-dioxo-7-pyrrolidin-1-ylquinoxalin-6-yl)-4-methoxybenzamide
CID 50791877
2,7-difluoro-10-methyl-3,6-di(piperidin-1-yl)acridin-9-one
CID 56956863
3-(4-methoxyphenyl)-6-methyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)quinazoline-2,4-dione
CID 71956372
N-(5-fluoro-2-pyrrolidin-1-ylphenyl)-4-methoxybenzamide
CID 113092344
1-(2-fluoro-5-methoxyphenyl)piperidin-4-ol
CID 70198128
5-methoxy-2-pyrrolidin-1-ylphenol
CID 168512796
ethane;ethene;1-(4-methoxyphenyl)piperidine
CID 144518047
1-cyclopropyl-6-fluoro-7-[4-[[3-(4-hydroxyphenyl)-4-(4-methoxyphenyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]piperazin-1-yl]-4-oxoquinoline-3-carboxylic acid
CID 136934921

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-3-hydroxy-1-(4-methoxyphenyl)-7-pyrrolidin-1-ylquinazoline-2,4-dione?
The IUPAC name of 6-fluoro-3-hydroxy-1-(4-methoxyphenyl)-7-pyrrolidin-1-ylquinazoline-2,4-dione (CID 22632945) is 6-fluoro-3-hydroxy-1-(4-methoxyphenyl)-7-pyrrolidin-1-ylquinazoline-2,4-dione.
What is the SMILES notation for 6-fluoro-3-hydroxy-1-(4-methoxyphenyl)-7-pyrrolidin-1-ylquinazoline-2,4-dione?
The canonical SMILES for 6-fluoro-3-hydroxy-1-(4-methoxyphenyl)-7-pyrrolidin-1-ylquinazoline-2,4-dione is COc1ccc(-n2c(=O)n(O)c(=O)c3cc(F)c(N4CCCC4)cc32)cc1.
What is the InChIKey of 6-fluoro-3-hydroxy-1-(4-methoxyphenyl)-7-pyrrolidin-1-ylquinazoline-2,4-dione?
The InChIKey is UMGAYVVFQPXCGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O4/c1-27-13-6-4-12(5-7-13)22-16-11-17(21-8-2-3-9-21)15(20)10-14(16)18(24)23(26)19(22)25/h4-7,10-11,26H,2-3,8-9H2,1H3.
What are the key properties of 6-fluoro-3-hydroxy-1-(4-methoxyphenyl)-7-pyrrolidin-1-ylquinazoline-2,4-dione?
6-fluoro-3-hydroxy-1-(4-methoxyphenyl)-7-pyrrolidin-1-ylquinazoline-2,4-dione has a molecular weight of 371.37 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-3-hydroxy-1-(4-methoxyphenyl)-7-pyrrolidin-1-ylquinazoline-2,4-dione is sourced from PubChem (CID 22632945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).