4-(6-fluoro-3-methyl-4-oxoquinazolin-2-yl)sulfanyl-N-(4-fluorophenyl)butanamide

C19H17F2N3O2S — CID 142437463

IUPAC4-(6-fluoro-3-methyl-4-oxoquinazolin-2-yl)sulfanyl-N-(4-fluorophenyl)butanamide
SMILESCn1c(SCCCC(=O)Nc2ccc(F)cc2)nc2ccc(F)cc2c1=O
InChIInChI=1S/C19H17F2N3O2S/c1-24-18(26)15-11-13(21)6-9-16(15)23-19(24)27-10-2-3-17(25)22-14-7-4-12(20)5-8-14/h4-9,11H,2-3,10H2,1H3,(H,22,25)
InChIKeyQXNDMINQSYWVQQ-UHFFFAOYSA-N
MW389.43 g/mol
LogP3.72
Rot. Bonds6

About 4-(6-fluoro-3-methyl-4-oxoquinazolin-2-yl)sulfanyl-N-(4-fluorophenyl)butanamide

4-(6-fluoro-3-methyl-4-oxoquinazolin-2-yl)sulfanyl-N-(4-fluorophenyl)butanamide (PubChem CID 142437463) has the molecular formula C19H17F2N3O2S and a molecular weight of 389.43 g/mol. Its IUPAC name is 4-(6-fluoro-3-methyl-4-oxoquinazolin-2-yl)sulfanyl-N-(4-fluorophenyl)butanamide.

Molecular Properties

Compound Name4-(6-fluoro-3-methyl-4-oxoquinazolin-2-yl)sulfanyl-N-(4-fluorophenyl)butanamide
PubChem CID142437463
Molecular FormulaC19H17F2N3O2S
Molecular Weight389.43 g/mol
Exact Mass389.10
IUPAC Name4-(6-fluoro-3-methyl-4-oxoquinazolin-2-yl)sulfanyl-N-(4-fluorophenyl)butanamide
SMILESCn1c(SCCCC(=O)Nc2ccc(F)cc2)nc2ccc(F)cc2c1=O
InChIInChI=1S/C19H17F2N3O2S/c1-24-18(26)15-11-13(21)6-9-16(15)23-19(24)27-10-2-3-17(25)22-14-7-4-12(20)5-8-14/h4-9,11H,2-3,10H2,1H3,(H,22,25)
InChIKeyQXNDMINQSYWVQQ-UHFFFAOYSA-N
XLogP3.72
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.43
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(4-bromophenyl)-3-(3-methyl-4-oxoquinazolin-2-yl)sulfanylpropanamide
CID 23745961
5-[5-[(4-bromophenyl)methyl]-1,4-dimethyl-6-oxopyrimidin-2-yl]sulfanyl-N-(4-fluorophenyl)pentanamide
CID 42739707
2-(3-hydroxypropylsulfanyl)-3,6-dimethylquinazolin-4-one
CID 111127184
2-(3,6-dimethyl-4-oxoquinazolin-2-yl)sulfanyl-N-(4-fluorophenyl)-2-phenylacetamide
CID 46484530
N-(1,3-benzodioxol-5-yl)-3-(3-methyl-4-oxoquinazolin-2-yl)sulfanylpropanamide
CID 23917161
N-(4-fluoro-2-methylphenyl)-2-(3-methyl-4-oxoquinazolin-2-yl)sulfanylacetamide
CID 46925055
N-(3,4-dimethylphenyl)-4-[5-[(2-fluorophenyl)methyl]-1,4-dimethyl-6-oxopyrimidin-2-yl]sulfanylbutanamide
CID 42739296
N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]-3-(3-methyl-4-oxoquinazolin-2-yl)sulfanylpropanamide
CID 25043945
2-(3-methyl-4-oxoquinazolin-2-yl)sulfanyl-N-prop-2-enylacetamide
CID 3149105
N-(4-fluorophenyl)-2-(3-methyl-4-oxoquinazolin-2-yl)sulfanylpropanamide
CID 18078083
N-(4-fluorophenyl)-4-(4-methylphenyl)sulfanylbutanamide
CID 41086197
4-[3-(3-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(4-methylphenyl)butanamide
CID 42739980

Frequently Asked Questions

What is the IUPAC name of 4-(6-fluoro-3-methyl-4-oxoquinazolin-2-yl)sulfanyl-N-(4-fluorophenyl)butanamide?
The IUPAC name of 4-(6-fluoro-3-methyl-4-oxoquinazolin-2-yl)sulfanyl-N-(4-fluorophenyl)butanamide (CID 142437463) is 4-(6-fluoro-3-methyl-4-oxoquinazolin-2-yl)sulfanyl-N-(4-fluorophenyl)butanamide.
What is the SMILES notation for 4-(6-fluoro-3-methyl-4-oxoquinazolin-2-yl)sulfanyl-N-(4-fluorophenyl)butanamide?
The canonical SMILES for 4-(6-fluoro-3-methyl-4-oxoquinazolin-2-yl)sulfanyl-N-(4-fluorophenyl)butanamide is Cn1c(SCCCC(=O)Nc2ccc(F)cc2)nc2ccc(F)cc2c1=O.
What is the InChIKey of 4-(6-fluoro-3-methyl-4-oxoquinazolin-2-yl)sulfanyl-N-(4-fluorophenyl)butanamide?
The InChIKey is QXNDMINQSYWVQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F2N3O2S/c1-24-18(26)15-11-13(21)6-9-16(15)23-19(24)27-10-2-3-17(25)22-14-7-4-12(20)5-8-14/h4-9,11H,2-3,10H2,1H3,(H,22,25).
What are the key properties of 4-(6-fluoro-3-methyl-4-oxoquinazolin-2-yl)sulfanyl-N-(4-fluorophenyl)butanamide?
4-(6-fluoro-3-methyl-4-oxoquinazolin-2-yl)sulfanyl-N-(4-fluorophenyl)butanamide has a molecular weight of 389.43 g/mol, XLogP of 3.72, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-fluoro-3-methyl-4-oxoquinazolin-2-yl)sulfanyl-N-(4-fluorophenyl)butanamide is sourced from PubChem (CID 142437463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).