N-(2-fluorophenyl)-6-[3-(4-fluorophenyl)-4-oxoquinazolin-2-yl]sulfanylhexanamide

C26H23F2N3O2S — CID 42744056

IUPACN-(2-fluorophenyl)-6-[3-(4-fluorophenyl)-4-oxoquinazolin-2-yl]sulfanylhexanamide
SMILESO=C(CCCCCSc1nc2ccccc2c(=O)n1-c1ccc(F)cc1)Nc1ccccc1F
InChIInChI=1S/C26H23F2N3O2S/c27-18-13-15-19(16-14-18)31-25(33)20-8-3-5-10-22(20)30-26(31)34-17-7-1-2-12-24(32)29-23-11-6-4-9-21(23)28/h3-6,8-11,13-16H,1-2,7,12,17H2,(H,29,32)
InChIKeySZXNBSRRQVFDED-UHFFFAOYSA-N
MW479.55 g/mol
LogP5.96
Rot. Bonds9

About N-(2-fluorophenyl)-6-[3-(4-fluorophenyl)-4-oxoquinazolin-2-yl]sulfanylhexanamide

N-(2-fluorophenyl)-6-[3-(4-fluorophenyl)-4-oxoquinazolin-2-yl]sulfanylhexanamide (PubChem CID 42744056) has the molecular formula C26H23F2N3O2S and a molecular weight of 479.55 g/mol. Its IUPAC name is N-(2-fluorophenyl)-6-[3-(4-fluorophenyl)-4-oxoquinazolin-2-yl]sulfanylhexanamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-6-[3-(4-fluorophenyl)-4-oxoquinazolin-2-yl]sulfanylhexanamide
PubChem CID42744056
Molecular FormulaC26H23F2N3O2S
Molecular Weight479.55 g/mol
Exact Mass479.15
IUPAC NameN-(2-fluorophenyl)-6-[3-(4-fluorophenyl)-4-oxoquinazolin-2-yl]sulfanylhexanamide
SMILESO=C(CCCCCSc1nc2ccccc2c(=O)n1-c1ccc(F)cc1)Nc1ccccc1F
InChIInChI=1S/C26H23F2N3O2S/c27-18-13-15-19(16-14-18)31-25(33)20-8-3-5-10-22(20)30-26(31)34-17-7-1-2-12-24(32)29-23-11-6-4-9-21(23)28/h3-6,8-11,13-16H,1-2,7,12,17H2,(H,29,32)
InChIKeySZXNBSRRQVFDED-UHFFFAOYSA-N
XLogP5.96
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.55
LogP ≤ 55.96
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-(6-aminohexyl)-5-[3-(4-fluorophenyl)-4-oxoquinazolin-2-yl]sulfanylpentanamide
CID 3901678
N-benzhydryl-6-[3-(4-fluorophenyl)-4-oxoquinazolin-2-yl]sulfanylhexanamide
CID 42744042
6-[3-(4-fluorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-propylhexanamide
CID 42744037
N-ethoxy-6-[3-(4-fluorophenyl)-4-oxoquinazolin-2-yl]sulfanylhexanamide
CID 42744055
2-[3-(4-fluorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-naphthalen-1-ylacetamide
CID 3568329
N-(3,3-diphenylpropyl)-5-[3-(4-fluorophenyl)-4-oxoquinazolin-2-yl]sulfanylpentanamide
CID 42734563
2-[6-(4-acetylpiperazin-1-yl)-6-oxohexyl]sulfanyl-3-(4-fluorophenyl)quinazolin-4-one
CID 42744062
N-(1,3-benzodioxol-5-ylmethyl)-6-[3-(4-fluorophenyl)-4-oxoquinazolin-2-yl]sulfanylhexanamide
CID 42744054
N-(2,4-difluorophenyl)-2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylacetamide
CID 4673947
N-(3-chloro-2-methylphenyl)-2-[3-(4-fluorophenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 23932140
N-(4-chloro-2-fluorophenyl)-2-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 3951706
N-(2-fluorophenyl)-2-[[3-(4-fluorophenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]acetamide
CID 2156218

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-6-[3-(4-fluorophenyl)-4-oxoquinazolin-2-yl]sulfanylhexanamide?
The IUPAC name of N-(2-fluorophenyl)-6-[3-(4-fluorophenyl)-4-oxoquinazolin-2-yl]sulfanylhexanamide (CID 42744056) is N-(2-fluorophenyl)-6-[3-(4-fluorophenyl)-4-oxoquinazolin-2-yl]sulfanylhexanamide.
What is the SMILES notation for N-(2-fluorophenyl)-6-[3-(4-fluorophenyl)-4-oxoquinazolin-2-yl]sulfanylhexanamide?
The canonical SMILES for N-(2-fluorophenyl)-6-[3-(4-fluorophenyl)-4-oxoquinazolin-2-yl]sulfanylhexanamide is O=C(CCCCCSc1nc2ccccc2c(=O)n1-c1ccc(F)cc1)Nc1ccccc1F.
What is the InChIKey of N-(2-fluorophenyl)-6-[3-(4-fluorophenyl)-4-oxoquinazolin-2-yl]sulfanylhexanamide?
The InChIKey is SZXNBSRRQVFDED-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23F2N3O2S/c27-18-13-15-19(16-14-18)31-25(33)20-8-3-5-10-22(20)30-26(31)34-17-7-1-2-12-24(32)29-23-11-6-4-9-21(23)28/h3-6,8-11,13-16H,1-2,7,12,17H2,(H,29,32).
What are the key properties of N-(2-fluorophenyl)-6-[3-(4-fluorophenyl)-4-oxoquinazolin-2-yl]sulfanylhexanamide?
N-(2-fluorophenyl)-6-[3-(4-fluorophenyl)-4-oxoquinazolin-2-yl]sulfanylhexanamide has a molecular weight of 479.55 g/mol, XLogP of 5.96, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-6-[3-(4-fluorophenyl)-4-oxoquinazolin-2-yl]sulfanylhexanamide is sourced from PubChem (CID 42744056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).