4-[1-[(4-fluorophenyl)methyl]-8-oxo-7H-imidazo[4,5-g]quinazolin-6-yl]-3-propoxybenzonitrile

C26H20FN5O2 — CID 135770543

IUPAC4-[1-[(4-fluorophenyl)methyl]-8-oxo-7H-imidazo[4,5-g]quinazolin-6-yl]-3-propoxybenzonitrile
SMILESCCCOc1cc(C#N)ccc1-c1nc2cc3ncn(Cc4ccc(F)cc4)c3cc2c(=O)[nH]1
InChIInChI=1S/C26H20FN5O2/c1-2-9-34-24-10-17(13-28)5-8-19(24)25-30-21-12-22-23(11-20(21)26(33)31-25)32(15-29-22)14-16-3-6-18(27)7-4-16/h3-8,10-12,15H,2,9,14H2,1H3,(H,30,31,33)
InChIKeyAVAJGAYOSJTJGH-UHFFFAOYSA-N
MW453.48 g/mol
LogP4.79
Rot. Bonds6

About 4-[1-[(4-fluorophenyl)methyl]-8-oxo-7H-imidazo[4,5-g]quinazolin-6-yl]-3-propoxybenzonitrile

4-[1-[(4-fluorophenyl)methyl]-8-oxo-7H-imidazo[4,5-g]quinazolin-6-yl]-3-propoxybenzonitrile (PubChem CID 135770543) has the molecular formula C26H20FN5O2 and a molecular weight of 453.48 g/mol. Its IUPAC name is 4-[1-[(4-fluorophenyl)methyl]-8-oxo-7H-imidazo[4,5-g]quinazolin-6-yl]-3-propoxybenzonitrile.

Molecular Properties

Compound Name4-[1-[(4-fluorophenyl)methyl]-8-oxo-7H-imidazo[4,5-g]quinazolin-6-yl]-3-propoxybenzonitrile
PubChem CID135770543
Molecular FormulaC26H20FN5O2
Molecular Weight453.48 g/mol
Exact Mass453.16
IUPAC Name4-[1-[(4-fluorophenyl)methyl]-8-oxo-7H-imidazo[4,5-g]quinazolin-6-yl]-3-propoxybenzonitrile
SMILESCCCOc1cc(C#N)ccc1-c1nc2cc3ncn(Cc4ccc(F)cc4)c3cc2c(=O)[nH]1
InChIInChI=1S/C26H20FN5O2/c1-2-9-34-24-10-17(13-28)5-8-19(24)25-30-21-12-22-23(11-20(21)26(33)31-25)32(15-29-22)14-16-3-6-18(27)7-4-16/h3-8,10-12,15H,2,9,14H2,1H3,(H,30,31,33)
InChIKeyAVAJGAYOSJTJGH-UHFFFAOYSA-N
XLogP4.79
TPSA96.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.48
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[1-[(4-fluorophenyl)methyl]-8-oxo-7H-imidazo[4,5-g]quinazolin-6-yl]-3-propoxybenzonitrile 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 4-[1-[(4-fluorophenyl)methyl]-8-oxo-7H-imidazo[4,5-g]quinazolin-6-yl]-3-propoxybenzonitrile?
The IUPAC name of 4-[1-[(4-fluorophenyl)methyl]-8-oxo-7H-imidazo[4,5-g]quinazolin-6-yl]-3-propoxybenzonitrile (CID 135770543) is 4-[1-[(4-fluorophenyl)methyl]-8-oxo-7H-imidazo[4,5-g]quinazolin-6-yl]-3-propoxybenzonitrile.
What is the SMILES notation for 4-[1-[(4-fluorophenyl)methyl]-8-oxo-7H-imidazo[4,5-g]quinazolin-6-yl]-3-propoxybenzonitrile?
The canonical SMILES for 4-[1-[(4-fluorophenyl)methyl]-8-oxo-7H-imidazo[4,5-g]quinazolin-6-yl]-3-propoxybenzonitrile is CCCOc1cc(C#N)ccc1-c1nc2cc3ncn(Cc4ccc(F)cc4)c3cc2c(=O)[nH]1.
What is the InChIKey of 4-[1-[(4-fluorophenyl)methyl]-8-oxo-7H-imidazo[4,5-g]quinazolin-6-yl]-3-propoxybenzonitrile?
The InChIKey is AVAJGAYOSJTJGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20FN5O2/c1-2-9-34-24-10-17(13-28)5-8-19(24)25-30-21-12-22-23(11-20(21)26(33)31-25)32(15-29-22)14-16-3-6-18(27)7-4-16/h3-8,10-12,15H,2,9,14H2,1H3,(H,30,31,33).
What are the key properties of 4-[1-[(4-fluorophenyl)methyl]-8-oxo-7H-imidazo[4,5-g]quinazolin-6-yl]-3-propoxybenzonitrile?
4-[1-[(4-fluorophenyl)methyl]-8-oxo-7H-imidazo[4,5-g]quinazolin-6-yl]-3-propoxybenzonitrile has a molecular weight of 453.48 g/mol, XLogP of 4.79, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[(4-fluorophenyl)methyl]-8-oxo-7H-imidazo[4,5-g]quinazolin-6-yl]-3-propoxybenzonitrile is sourced from PubChem (CID 135770543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).