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

C26H22FN5O3 — CID 135444771

IUPAC3-[1-[(4-fluorophenyl)methyl]-8-oxo-7H-imidazo[4,5-g]quinazolin-6-yl]-4-propoxybenzamide
SMILESCCCOc1ccc(C(N)=O)cc1-c1nc2cc3ncn(Cc4ccc(F)cc4)c3cc2c(=O)[nH]1
InChIInChI=1S/C26H22FN5O3/c1-2-9-35-23-8-5-16(24(28)33)10-19(23)25-30-20-12-21-22(11-18(20)26(34)31-25)32(14-29-21)13-15-3-6-17(27)7-4-15/h3-8,10-12,14H,2,9,13H2,1H3,(H2,28,33)(H,30,31,34)
InChIKeyFHBUUNSHWMUODM-UHFFFAOYSA-N
MW471.49 g/mol
LogP4.01
Rot. Bonds7

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

3-[1-[(4-fluorophenyl)methyl]-8-oxo-7H-imidazo[4,5-g]quinazolin-6-yl]-4-propoxybenzamide (PubChem CID 135444771) has the molecular formula C26H22FN5O3 and a molecular weight of 471.49 g/mol. Its IUPAC name is 3-[1-[(4-fluorophenyl)methyl]-8-oxo-7H-imidazo[4,5-g]quinazolin-6-yl]-4-propoxybenzamide.

Molecular Properties

Compound Name3-[1-[(4-fluorophenyl)methyl]-8-oxo-7H-imidazo[4,5-g]quinazolin-6-yl]-4-propoxybenzamide
PubChem CID135444771
Molecular FormulaC26H22FN5O3
Molecular Weight471.49 g/mol
Exact Mass471.17
IUPAC Name3-[1-[(4-fluorophenyl)methyl]-8-oxo-7H-imidazo[4,5-g]quinazolin-6-yl]-4-propoxybenzamide
SMILESCCCOc1ccc(C(N)=O)cc1-c1nc2cc3ncn(Cc4ccc(F)cc4)c3cc2c(=O)[nH]1
InChIInChI=1S/C26H22FN5O3/c1-2-9-35-23-8-5-16(24(28)33)10-19(23)25-30-20-12-21-22(11-18(20)26(34)31-25)32(14-29-21)13-15-3-6-17(27)7-4-15/h3-8,10-12,14H,2,9,13H2,1H3,(H2,28,33)(H,30,31,34)
InChIKeyFHBUUNSHWMUODM-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

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Related Compounds

2-{4-[3-(dimethylamino)propoxy]phenyl}-5,6-dihydroimidazo[4,5,1-jk][1,4]benzodiazepin-7(4H)-one
CID 10292240
6-Amino-4-(2-(4-methoxyphenyl)ethyl)-1,7-dihydro-8H-imidazo(4,5-G)quinazolin-8-one
CID 135476766
3-(6-(2-aminopyrimidin-4-yl)-1H-benzo[d]imidazol-2-yl)-N-benzylchroman-6-carboxamide
CID 44563191
6-[5-(4-Ethyl-piperazine-1-sulfonyl)-2-propoxy-phenyl]-1-(2-methoxy-benzyl)-1,7-dihydro-imidazo[4,5-g]quinazolin-8-one
CID 135474505
6-[5-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]sulfonyl-2-propoxyphenyl]-1-[(4-fluorophenyl)methyl]-7H-imidazo[4,5-g]quinazolin-8-one
CID 135518785
N-[(2E)-5-[benzene(methyl)amido]-1-(2-carbamoylethyl)-2,3-dihydro-1H-1,3-benzodiazol-2-ylidene]-4-methoxybenzamide
CID 25190504
1-[(2-methoxyphenyl)methyl]-N-[(1R)-1-phenylpropyl]-1H-1,3-benzodiazole-5-carboxamide
CID 44132012
3-[6-(2-aminopyrimidin-4-yl)-1H-benzimidazol-2-yl]-N,N-dimethyl-3,4-dihydro-2H-chromene-6-carboxamide
CID 46881480
3-[6-(2-aminopyrimidin-4-yl)-1H-benzimidazol-2-yl]-N-(2-phenylethyl)-3,4-dihydro-2H-chromene-6-carboxamide
CID 46881515
3-[6-(2-aminopyrimidin-4-yl)-1H-benzimidazol-2-yl]-N-[2-(dimethylamino)ethyl]-3,4-dihydro-2H-chromene-6-carboxamide
CID 46881565
3-[6-(2-aminopyrimidin-4-yl)-1H-benzimidazol-2-yl]-N-[3-(dimethylamino)propyl]-3,4-dihydro-2H-chromene-6-carboxamide
CID 46881566
6-[5-(4-Methyl-piperazine-1-sulfonyl)-2-propoxy-phenyl]-3,7-dihydro-imidazo[4,5-g]quinazolin-8-one
CID 135406554

Frequently Asked Questions

What is the IUPAC name of 3-[1-[(4-fluorophenyl)methyl]-8-oxo-7H-imidazo[4,5-g]quinazolin-6-yl]-4-propoxybenzamide?
The IUPAC name of 3-[1-[(4-fluorophenyl)methyl]-8-oxo-7H-imidazo[4,5-g]quinazolin-6-yl]-4-propoxybenzamide (CID 135444771) is 3-[1-[(4-fluorophenyl)methyl]-8-oxo-7H-imidazo[4,5-g]quinazolin-6-yl]-4-propoxybenzamide.
What is the SMILES notation for 3-[1-[(4-fluorophenyl)methyl]-8-oxo-7H-imidazo[4,5-g]quinazolin-6-yl]-4-propoxybenzamide?
The canonical SMILES for 3-[1-[(4-fluorophenyl)methyl]-8-oxo-7H-imidazo[4,5-g]quinazolin-6-yl]-4-propoxybenzamide is CCCOc1ccc(C(N)=O)cc1-c1nc2cc3ncn(Cc4ccc(F)cc4)c3cc2c(=O)[nH]1.
What is the InChIKey of 3-[1-[(4-fluorophenyl)methyl]-8-oxo-7H-imidazo[4,5-g]quinazolin-6-yl]-4-propoxybenzamide?
The InChIKey is FHBUUNSHWMUODM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22FN5O3/c1-2-9-35-23-8-5-16(24(28)33)10-19(23)25-30-20-12-21-22(11-18(20)26(34)31-25)32(14-29-21)13-15-3-6-17(27)7-4-15/h3-8,10-12,14H,2,9,13H2,1H3,(H2,28,33)(H,30,31,34).
What are the key properties of 3-[1-[(4-fluorophenyl)methyl]-8-oxo-7H-imidazo[4,5-g]quinazolin-6-yl]-4-propoxybenzamide?
3-[1-[(4-fluorophenyl)methyl]-8-oxo-7H-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-[1-[(4-fluorophenyl)methyl]-8-oxo-7H-imidazo[4,5-g]quinazolin-6-yl]-4-propoxybenzamide is sourced from PubChem (CID 135444771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).