6-[(4-fluorophenyl)methyl]-3-[(3R,4S)-3-hydroxyoxan-4-yl]-10-methyl-9H-pyrido[3,2-h]quinazolin-4-one

C24H24FN3O3 — CID 71015266

IUPAC6-[(4-fluorophenyl)methyl]-3-[(3R,4S)-3-hydroxyoxan-4-yl]-10-methyl-9H-pyrido[3,2-h]quinazolin-4-one
SMILESCN1CC=Cc2c(Cc3ccc(F)cc3)cc3c(=O)n([C@H]4CCOC[C@@H]4O)cnc3c21
InChIInChI=1S/C24H24FN3O3/c1-27-9-2-3-18-16(11-15-4-6-17(25)7-5-15)12-19-22(23(18)27)26-14-28(24(19)30)20-8-10-31-13-21(20)29/h2-7,12,14,20-21,29H,8-11,13H2,1H3/t20-,21-/m0/s1
InChIKeyHFJFXMBBLZVNOO-SFTDATJTSA-N
MW421.47 g/mol
LogP2.91
Rot. Bonds3

About 6-[(4-fluorophenyl)methyl]-3-[(3R,4S)-3-hydroxyoxan-4-yl]-10-methyl-9H-pyrido[3,2-h]quinazolin-4-one

6-[(4-fluorophenyl)methyl]-3-[(3R,4S)-3-hydroxyoxan-4-yl]-10-methyl-9H-pyrido[3,2-h]quinazolin-4-one (PubChem CID 71015266) has the molecular formula C24H24FN3O3 and a molecular weight of 421.47 g/mol. Its IUPAC name is 6-[(4-fluorophenyl)methyl]-3-[(3R,4S)-3-hydroxyoxan-4-yl]-10-methyl-9H-pyrido[3,2-h]quinazolin-4-one.

Molecular Properties

Compound Name6-[(4-fluorophenyl)methyl]-3-[(3R,4S)-3-hydroxyoxan-4-yl]-10-methyl-9H-pyrido[3,2-h]quinazolin-4-one
PubChem CID71015266
Molecular FormulaC24H24FN3O3
Molecular Weight421.47 g/mol
Exact Mass421.18
IUPAC Name6-[(4-fluorophenyl)methyl]-3-[(3R,4S)-3-hydroxyoxan-4-yl]-10-methyl-9H-pyrido[3,2-h]quinazolin-4-one
SMILESCN1CC=Cc2c(Cc3ccc(F)cc3)cc3c(=O)n([C@H]4CCOC[C@@H]4O)cnc3c21
InChIInChI=1S/C24H24FN3O3/c1-27-9-2-3-18-16(11-15-4-6-17(25)7-5-15)12-19-22(23(18)27)26-14-28(24(19)30)20-8-10-31-13-21(20)29/h2-7,12,14,20-21,29H,8-11,13H2,1H3/t20-,21-/m0/s1
InChIKeyHFJFXMBBLZVNOO-SFTDATJTSA-N
XLogP2.91
TPSA67.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.47
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-[(4-fluorophenyl)methyl]-3-[(3R,4S)-3-hydroxyoxan-4-yl]-10-methyl-9H-pyrido[3,2-h]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 6-[(4-fluorophenyl)methyl]-3-[(3R,4S)-3-hydroxyoxan-4-yl]-10-methyl-9H-pyrido[3,2-h]quinazolin-4-one?
The IUPAC name of 6-[(4-fluorophenyl)methyl]-3-[(3R,4S)-3-hydroxyoxan-4-yl]-10-methyl-9H-pyrido[3,2-h]quinazolin-4-one (CID 71015266) is 6-[(4-fluorophenyl)methyl]-3-[(3R,4S)-3-hydroxyoxan-4-yl]-10-methyl-9H-pyrido[3,2-h]quinazolin-4-one.
What is the SMILES notation for 6-[(4-fluorophenyl)methyl]-3-[(3R,4S)-3-hydroxyoxan-4-yl]-10-methyl-9H-pyrido[3,2-h]quinazolin-4-one?
The canonical SMILES for 6-[(4-fluorophenyl)methyl]-3-[(3R,4S)-3-hydroxyoxan-4-yl]-10-methyl-9H-pyrido[3,2-h]quinazolin-4-one is CN1CC=Cc2c(Cc3ccc(F)cc3)cc3c(=O)n([C@H]4CCOC[C@@H]4O)cnc3c21.
What is the InChIKey of 6-[(4-fluorophenyl)methyl]-3-[(3R,4S)-3-hydroxyoxan-4-yl]-10-methyl-9H-pyrido[3,2-h]quinazolin-4-one?
The InChIKey is HFJFXMBBLZVNOO-SFTDATJTSA-N. The full InChI is InChI=1S/C24H24FN3O3/c1-27-9-2-3-18-16(11-15-4-6-17(25)7-5-15)12-19-22(23(18)27)26-14-28(24(19)30)20-8-10-31-13-21(20)29/h2-7,12,14,20-21,29H,8-11,13H2,1H3/t20-,21-/m0/s1.
What are the key properties of 6-[(4-fluorophenyl)methyl]-3-[(3R,4S)-3-hydroxyoxan-4-yl]-10-methyl-9H-pyrido[3,2-h]quinazolin-4-one?
6-[(4-fluorophenyl)methyl]-3-[(3R,4S)-3-hydroxyoxan-4-yl]-10-methyl-9H-pyrido[3,2-h]quinazolin-4-one has a molecular weight of 421.47 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-fluorophenyl)methyl]-3-[(3R,4S)-3-hydroxyoxan-4-yl]-10-methyl-9H-pyrido[3,2-h]quinazolin-4-one is sourced from PubChem (CID 71015266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).