N-[5-fluoro-2-(1-methylimidazol-2-yl)sulfanylphenyl]-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide

C26H20FN5O2S — CID 60613873

IUPACN-[5-fluoro-2-(1-methylimidazol-2-yl)sulfanylphenyl]-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide
SMILESCc1nc2ccccc2c(=O)n1-c1ccc(C(=O)Nc2cc(F)ccc2Sc2nccn2C)cc1
InChIInChI=1S/C26H20FN5O2S/c1-16-29-21-6-4-3-5-20(21)25(34)32(16)19-10-7-17(8-11-19)24(33)30-22-15-18(27)9-12-23(22)35-26-28-13-14-31(26)2/h3-15H,1-2H3,(H,30,33)
InChIKeyBYQFGYBXZGOYQN-UHFFFAOYSA-N
MW485.54 g/mol
LogP4.97
Rot. Bonds5

About N-[5-fluoro-2-(1-methylimidazol-2-yl)sulfanylphenyl]-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide

N-[5-fluoro-2-(1-methylimidazol-2-yl)sulfanylphenyl]-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide (PubChem CID 60613873) has the molecular formula C26H20FN5O2S and a molecular weight of 485.54 g/mol. Its IUPAC name is N-[5-fluoro-2-(1-methylimidazol-2-yl)sulfanylphenyl]-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide.

Molecular Properties

Compound NameN-[5-fluoro-2-(1-methylimidazol-2-yl)sulfanylphenyl]-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide
PubChem CID60613873
Molecular FormulaC26H20FN5O2S
Molecular Weight485.54 g/mol
Exact Mass485.13
IUPAC NameN-[5-fluoro-2-(1-methylimidazol-2-yl)sulfanylphenyl]-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide
SMILESCc1nc2ccccc2c(=O)n1-c1ccc(C(=O)Nc2cc(F)ccc2Sc2nccn2C)cc1
InChIInChI=1S/C26H20FN5O2S/c1-16-29-21-6-4-3-5-20(21)25(34)32(16)19-10-7-17(8-11-19)24(33)30-22-15-18(27)9-12-23(22)35-26-28-13-14-31(26)2/h3-15H,1-2H3,(H,30,33)
InChIKeyBYQFGYBXZGOYQN-UHFFFAOYSA-N
XLogP4.97
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.54
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-(1-methylimidazol-2-yl)sulfanylethyl]-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide
CID 17463603
N-[2-fluoro-5-(2-methyl-4-oxoquinazolin-3-yl)phenyl]-4-methylbenzamide
CID 7593064
N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide
CID 39795631
2-[[4-(2-methyl-4-oxoquinazolin-3-yl)benzoyl]amino]benzamide
CID 9399217
4-methyl-N-[4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzamide
CID 7294843
4-(2-methyl-4-oxoquinazolin-3-yl)-N-(2-methyl-4-pyrimidin-2-yloxyphenyl)benzamide
CID 60589902
N-[2-(4-methoxyphenoxy)-3-pyridinyl]-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide
CID 55661317
N-(3-iodo-4-methylphenyl)-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide
CID 46809727
methyl 3-[[4-(2-methyl-4-oxoquinazolin-3-yl)benzoyl]amino]thiophene-2-carboxylate
CID 36670505
4-(2-methyl-4-oxoquinazolin-3-yl)-N-[4-(2-methylpropanoylamino)phenyl]benzamide
CID 39777242
4-(2-methyl-4-oxoquinazolin-3-yl)-N-[4-(trifluoromethyl)phenyl]benzamide
CID 39776766
N-[(4R)-6-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide
CID 41036870

Frequently Asked Questions

What is the IUPAC name of N-[5-fluoro-2-(1-methylimidazol-2-yl)sulfanylphenyl]-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide?
The IUPAC name of N-[5-fluoro-2-(1-methylimidazol-2-yl)sulfanylphenyl]-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide (CID 60613873) is N-[5-fluoro-2-(1-methylimidazol-2-yl)sulfanylphenyl]-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide.
What is the SMILES notation for N-[5-fluoro-2-(1-methylimidazol-2-yl)sulfanylphenyl]-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide?
The canonical SMILES for N-[5-fluoro-2-(1-methylimidazol-2-yl)sulfanylphenyl]-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide is Cc1nc2ccccc2c(=O)n1-c1ccc(C(=O)Nc2cc(F)ccc2Sc2nccn2C)cc1.
What is the InChIKey of N-[5-fluoro-2-(1-methylimidazol-2-yl)sulfanylphenyl]-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide?
The InChIKey is BYQFGYBXZGOYQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20FN5O2S/c1-16-29-21-6-4-3-5-20(21)25(34)32(16)19-10-7-17(8-11-19)24(33)30-22-15-18(27)9-12-23(22)35-26-28-13-14-31(26)2/h3-15H,1-2H3,(H,30,33).
What are the key properties of N-[5-fluoro-2-(1-methylimidazol-2-yl)sulfanylphenyl]-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide?
N-[5-fluoro-2-(1-methylimidazol-2-yl)sulfanylphenyl]-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide has a molecular weight of 485.54 g/mol, XLogP of 4.97, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-fluoro-2-(1-methylimidazol-2-yl)sulfanylphenyl]-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide is sourced from PubChem (CID 60613873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).