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

C26H22FN5O3 — CID 90823458

IUPAC3-[7-[(4-fluorophenyl)methyl]-8-oxo-1H-imidazo[4,5-g]quinazolin-6-yl]-4-propoxybenzamide
SMILESCCCOc1ccc(C(N)=O)cc1-c1nc2cc3nc[nH]c3cc2c(=O)n1Cc1ccc(F)cc1
InChIInChI=1S/C26H22FN5O3/c1-2-9-35-23-8-5-16(24(28)33)10-19(23)25-31-20-12-22-21(29-14-30-22)11-18(20)26(34)32(25)13-15-3-6-17(27)7-4-15/h3-8,10-12,14H,2,9,13H2,1H3,(H2,28,33)(H,29,30)
InChIKeyXUOMEDLLVPXCCF-UHFFFAOYSA-N
MW471.49 g/mol
LogP4.01
Rot. Bonds7

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

3-[7-[(4-fluorophenyl)methyl]-8-oxo-1H-imidazo[4,5-g]quinazolin-6-yl]-4-propoxybenzamide (PubChem CID 90823458) has the molecular formula C26H22FN5O3 and a molecular weight of 471.49 g/mol. Its IUPAC name is 3-[7-[(4-fluorophenyl)methyl]-8-oxo-1H-imidazo[4,5-g]quinazolin-6-yl]-4-propoxybenzamide.

Molecular Properties

Compound Name3-[7-[(4-fluorophenyl)methyl]-8-oxo-1H-imidazo[4,5-g]quinazolin-6-yl]-4-propoxybenzamide
PubChem CID90823458
Molecular FormulaC26H22FN5O3
Molecular Weight471.49 g/mol
Exact Mass471.17
IUPAC Name3-[7-[(4-fluorophenyl)methyl]-8-oxo-1H-imidazo[4,5-g]quinazolin-6-yl]-4-propoxybenzamide
SMILESCCCOc1ccc(C(N)=O)cc1-c1nc2cc3nc[nH]c3cc2c(=O)n1Cc1ccc(F)cc1
InChIInChI=1S/C26H22FN5O3/c1-2-9-35-23-8-5-16(24(28)33)10-19(23)25-31-20-12-22-21(29-14-30-22)11-18(20)26(34)32(25)13-15-3-6-17(27)7-4-15/h3-8,10-12,14H,2,9,13H2,1H3,(H2,28,33)(H,29,30)
InChIKeyXUOMEDLLVPXCCF-UHFFFAOYSA-N
XLogP4.01
TPSA115.89 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.49
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

3-[(4-fluorophenyl)methyl]-2-(2-hexoxyphenyl)quinazolin-4-one
CID 46083535
6-[5-[(4-methylpiperazin-1-yl)methyl]-2-propoxyphenyl]-1,7-dihydroimidazo[4,5-g]quinazolin-8-one
CID 135967774
6-[5-(3-amino-1-ethylpiperazin-1-ium-1-carbonyl)-2-propoxyphenyl]-1-[(4-fluorophenyl)methyl]-7H-imidazo[4,5-g]quinazolin-8-one
CID 135770585
3-(4-fluorophenyl)-4-propoxybenzoic acid
CID 134391719
ethyl 1-[3-(8-oxo-1,7-dihydroimidazo[4,5-g]quinazolin-6-yl)-4-propoxyphenyl]sulfonylpiperidine-3-carboxylate
CID 135506339
1-[3-(8-oxo-1,7-dihydroimidazo[4,5-g]quinazolin-6-yl)-4-propoxyphenyl]sulfonylpiperidine-3-carboxylic acid
CID 135770608
4-amino-3-propoxybenzamide
CID 63356295
3-[3-(5-fluoro-2-propoxyphenyl)phenyl]-1H-1,2,4-triazole-5-carboxamide
CID 11416515
4-[[3-bromo-4-(2,4-difluorophenoxy)-6-methyl-2-oxo-1-pyridinyl]methyl]benzamide
CID 22050923
3-chloro-4-[(4-fluorophenyl)methoxy]benzamide
CID 91681954
N-[3-[(4-fluorophenyl)methyl]-2-methyl-4-oxoquinazolin-6-yl]-4-methoxybenzamide
CID 43813136
6-amino-2-ethyl-3-[(4-fluorophenyl)methyl]quinazolin-4-one
CID 1456539

Frequently Asked Questions

What is the IUPAC name of 3-[7-[(4-fluorophenyl)methyl]-8-oxo-1H-imidazo[4,5-g]quinazolin-6-yl]-4-propoxybenzamide?
The IUPAC name of 3-[7-[(4-fluorophenyl)methyl]-8-oxo-1H-imidazo[4,5-g]quinazolin-6-yl]-4-propoxybenzamide (CID 90823458) is 3-[7-[(4-fluorophenyl)methyl]-8-oxo-1H-imidazo[4,5-g]quinazolin-6-yl]-4-propoxybenzamide.
What is the SMILES notation for 3-[7-[(4-fluorophenyl)methyl]-8-oxo-1H-imidazo[4,5-g]quinazolin-6-yl]-4-propoxybenzamide?
The canonical SMILES for 3-[7-[(4-fluorophenyl)methyl]-8-oxo-1H-imidazo[4,5-g]quinazolin-6-yl]-4-propoxybenzamide is CCCOc1ccc(C(N)=O)cc1-c1nc2cc3nc[nH]c3cc2c(=O)n1Cc1ccc(F)cc1.
What is the InChIKey of 3-[7-[(4-fluorophenyl)methyl]-8-oxo-1H-imidazo[4,5-g]quinazolin-6-yl]-4-propoxybenzamide?
The InChIKey is XUOMEDLLVPXCCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22FN5O3/c1-2-9-35-23-8-5-16(24(28)33)10-19(23)25-31-20-12-22-21(29-14-30-22)11-18(20)26(34)32(25)13-15-3-6-17(27)7-4-15/h3-8,10-12,14H,2,9,13H2,1H3,(H2,28,33)(H,29,30).
What are the key properties of 3-[7-[(4-fluorophenyl)methyl]-8-oxo-1H-imidazo[4,5-g]quinazolin-6-yl]-4-propoxybenzamide?
3-[7-[(4-fluorophenyl)methyl]-8-oxo-1H-imidazo[4,5-g]quinazolin-6-yl]-4-propoxybenzamide has a molecular weight of 471.49 g/mol, XLogP of 4.01, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[7-[(4-fluorophenyl)methyl]-8-oxo-1H-imidazo[4,5-g]quinazolin-6-yl]-4-propoxybenzamide is sourced from PubChem (CID 90823458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).