2-[1-(2-fluorophenyl)-3-hydroxy-5-imino-2H-pyrrol-4-yl]-3H-quinazolin-4-one

C18H13FN4O2 — CID 135454350

IUPAC2-[1-(2-fluorophenyl)-3-hydroxy-5-imino-2H-pyrrol-4-yl]-3H-quinazolin-4-one
SMILES[H]/N=C1/C(c2nc3ccccc3c(=O)[nH]2)=C(O)CN1c1ccccc1F
InChIInChI=1S/C18H13FN4O2/c19-11-6-2-4-8-13(11)23-9-14(24)15(16(23)20)17-21-12-7-3-1-5-10(12)18(25)22-17/h1-8,20,24H,9H2,(H,21,22,25)/b20-16-
InChIKeyUMJKDPIMAYYCLX-SILNSSARSA-N
MW336.33 g/mol
LogP2.83
Rot. Bonds2

About 2-[1-(2-fluorophenyl)-3-hydroxy-5-imino-2H-pyrrol-4-yl]-3H-quinazolin-4-one

2-[1-(2-fluorophenyl)-3-hydroxy-5-imino-2H-pyrrol-4-yl]-3H-quinazolin-4-one (PubChem CID 135454350) has the molecular formula C18H13FN4O2 and a molecular weight of 336.33 g/mol. Its IUPAC name is 2-[1-(2-fluorophenyl)-3-hydroxy-5-imino-2H-pyrrol-4-yl]-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-[1-(2-fluorophenyl)-3-hydroxy-5-imino-2H-pyrrol-4-yl]-3H-quinazolin-4-one
PubChem CID135454350
Molecular FormulaC18H13FN4O2
Molecular Weight336.33 g/mol
Exact Mass336.10
IUPAC Name2-[1-(2-fluorophenyl)-3-hydroxy-5-imino-2H-pyrrol-4-yl]-3H-quinazolin-4-one
SMILES[H]/N=C1/C(c2nc3ccccc3c(=O)[nH]2)=C(O)CN1c1ccccc1F
InChIInChI=1S/C18H13FN4O2/c19-11-6-2-4-8-13(11)23-9-14(24)15(16(23)20)17-21-12-7-3-1-5-10(12)18(25)22-17/h1-8,20,24H,9H2,(H,21,22,25)/b20-16-
InChIKeyUMJKDPIMAYYCLX-SILNSSARSA-N
XLogP2.83
TPSA93.07 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.33
LogP ≤ 52.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 2-[1-(2-fluorophenyl)-3-hydroxy-5-imino-2H-pyrrol-4-yl]-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

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-fluorophenyl)-3-hydroxy-5-imino-2H-pyrrol-4-yl]-3H-quinazolin-4-one?
The IUPAC name of 2-[1-(2-fluorophenyl)-3-hydroxy-5-imino-2H-pyrrol-4-yl]-3H-quinazolin-4-one (CID 135454350) is 2-[1-(2-fluorophenyl)-3-hydroxy-5-imino-2H-pyrrol-4-yl]-3H-quinazolin-4-one.
What is the SMILES notation for 2-[1-(2-fluorophenyl)-3-hydroxy-5-imino-2H-pyrrol-4-yl]-3H-quinazolin-4-one?
The canonical SMILES for 2-[1-(2-fluorophenyl)-3-hydroxy-5-imino-2H-pyrrol-4-yl]-3H-quinazolin-4-one is [H]/N=C1/C(c2nc3ccccc3c(=O)[nH]2)=C(O)CN1c1ccccc1F.
What is the InChIKey of 2-[1-(2-fluorophenyl)-3-hydroxy-5-imino-2H-pyrrol-4-yl]-3H-quinazolin-4-one?
The InChIKey is UMJKDPIMAYYCLX-SILNSSARSA-N. The full InChI is InChI=1S/C18H13FN4O2/c19-11-6-2-4-8-13(11)23-9-14(24)15(16(23)20)17-21-12-7-3-1-5-10(12)18(25)22-17/h1-8,20,24H,9H2,(H,21,22,25)/b20-16-.
What are the key properties of 2-[1-(2-fluorophenyl)-3-hydroxy-5-imino-2H-pyrrol-4-yl]-3H-quinazolin-4-one?
2-[1-(2-fluorophenyl)-3-hydroxy-5-imino-2H-pyrrol-4-yl]-3H-quinazolin-4-one has a molecular weight of 336.33 g/mol, XLogP of 2.83, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-fluorophenyl)-3-hydroxy-5-imino-2H-pyrrol-4-yl]-3H-quinazolin-4-one is sourced from PubChem (CID 135454350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).