N'-[2-(6-fluoro-2-phenylquinazolin-4-yl)sulfanylacetyl]-3-methylbenzohydrazide

C24H19FN4O2S — CID 1167934

IUPACN'-[2-(6-fluoro-2-phenylquinazolin-4-yl)sulfanylacetyl]-3-methylbenzohydrazide
SMILESCc1cccc(C(=O)NNC(=O)CSc2nc(-c3ccccc3)nc3ccc(F)cc23)c1
InChIInChI=1S/C24H19FN4O2S/c1-15-6-5-9-17(12-15)23(31)29-28-21(30)14-32-24-19-13-18(25)10-11-20(19)26-22(27-24)16-7-3-2-4-8-16/h2-13H,14H2,1H3,(H,28,30)(H,29,31)
InChIKeyHXKMAVGIIXIPQH-UHFFFAOYSA-N
MW446.51 g/mol
LogP4.30
Rot. Bonds5

About N'-[2-(6-fluoro-2-phenylquinazolin-4-yl)sulfanylacetyl]-3-methylbenzohydrazide

N'-[2-(6-fluoro-2-phenylquinazolin-4-yl)sulfanylacetyl]-3-methylbenzohydrazide (PubChem CID 1167934) has the molecular formula C24H19FN4O2S and a molecular weight of 446.51 g/mol. Its IUPAC name is N'-[2-(6-fluoro-2-phenylquinazolin-4-yl)sulfanylacetyl]-3-methylbenzohydrazide.

Molecular Properties

Compound NameN'-[2-(6-fluoro-2-phenylquinazolin-4-yl)sulfanylacetyl]-3-methylbenzohydrazide
PubChem CID1167934
Molecular FormulaC24H19FN4O2S
Molecular Weight446.51 g/mol
Exact Mass446.12
IUPAC NameN'-[2-(6-fluoro-2-phenylquinazolin-4-yl)sulfanylacetyl]-3-methylbenzohydrazide
SMILESCc1cccc(C(=O)NNC(=O)CSc2nc(-c3ccccc3)nc3ccc(F)cc23)c1
InChIInChI=1S/C24H19FN4O2S/c1-15-6-5-9-17(12-15)23(31)29-28-21(30)14-32-24-19-13-18(25)10-11-20(19)26-22(27-24)16-7-3-2-4-8-16/h2-13H,14H2,1H3,(H,28,30)(H,29,31)
InChIKeyHXKMAVGIIXIPQH-UHFFFAOYSA-N
XLogP4.30
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.51
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(6-fluoro-2-phenylquinazolin-4-yl)sulfanyl-N-(3-methylphenyl)acetamide
CID 1129852
2-(6-fluoro-2-phenylquinazolin-4-yl)sulfanylacetic acid
CID 1136287
2-(6-fluoro-2-phenylquinazolin-4-yl)sulfanyl-N-prop-2-enylacetamide
CID 3808223
N-(3-chloro-4-methylphenyl)-2-(6-fluoro-2-phenylquinazolin-4-yl)sulfanylacetamide
CID 3136401
N-(2,3-dichlorophenyl)-2-(6-fluoro-2-phenylquinazolin-4-yl)sulfanylacetamide
CID 3166645
N'-[2-[2-(4-bromophenyl)-6-fluoroquinazolin-4-yl]sulfanylacetyl]-2-nitrobenzohydrazide
CID 3166979
2-[2-(4-fluorophenyl)-6-methylquinazolin-4-yl]sulfanyl-N-propylacetamide
CID 3226769
2-(6-methyl-2-phenylquinazolin-4-yl)sulfanyl-N-(2,4,6-trimethylphenyl)acetamide
CID 3135641
N-(2-methylphenyl)-2-(6-methyl-2-phenylquinazolin-4-yl)sulfanylacetamide
CID 3135640
2-[2-(4-fluorophenyl)-7-methylquinazolin-4-yl]sulfanyl-N-phenylacetamide
CID 1459615
1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-(6-fluoro-2-phenylquinazolin-4-yl)sulfanylethanone
CID 7123557
N-(5-chloro-2-methoxyphenyl)-2-(6-fluoro-2-phenylquinazolin-4-yl)sulfanylacetamide
CID 3166643

Frequently Asked Questions

What is the IUPAC name of N'-[2-(6-fluoro-2-phenylquinazolin-4-yl)sulfanylacetyl]-3-methylbenzohydrazide?
The IUPAC name of N'-[2-(6-fluoro-2-phenylquinazolin-4-yl)sulfanylacetyl]-3-methylbenzohydrazide (CID 1167934) is N'-[2-(6-fluoro-2-phenylquinazolin-4-yl)sulfanylacetyl]-3-methylbenzohydrazide.
What is the SMILES notation for N'-[2-(6-fluoro-2-phenylquinazolin-4-yl)sulfanylacetyl]-3-methylbenzohydrazide?
The canonical SMILES for N'-[2-(6-fluoro-2-phenylquinazolin-4-yl)sulfanylacetyl]-3-methylbenzohydrazide is Cc1cccc(C(=O)NNC(=O)CSc2nc(-c3ccccc3)nc3ccc(F)cc23)c1.
What is the InChIKey of N'-[2-(6-fluoro-2-phenylquinazolin-4-yl)sulfanylacetyl]-3-methylbenzohydrazide?
The InChIKey is HXKMAVGIIXIPQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19FN4O2S/c1-15-6-5-9-17(12-15)23(31)29-28-21(30)14-32-24-19-13-18(25)10-11-20(19)26-22(27-24)16-7-3-2-4-8-16/h2-13H,14H2,1H3,(H,28,30)(H,29,31).
What are the key properties of N'-[2-(6-fluoro-2-phenylquinazolin-4-yl)sulfanylacetyl]-3-methylbenzohydrazide?
N'-[2-(6-fluoro-2-phenylquinazolin-4-yl)sulfanylacetyl]-3-methylbenzohydrazide has a molecular weight of 446.51 g/mol, XLogP of 4.30, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(6-fluoro-2-phenylquinazolin-4-yl)sulfanylacetyl]-3-methylbenzohydrazide is sourced from PubChem (CID 1167934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).