2-fluoro-N'-[2-(2-methylquinazolin-4-yl)sulfanylacetyl]benzohydrazide

C18H15FN4O2S — CID 7134044

IUPAC2-fluoro-N'-[2-(2-methylquinazolin-4-yl)sulfanylacetyl]benzohydrazide
SMILESCc1nc(SCC(=O)NNC(=O)c2ccccc2F)c2ccccc2n1
InChIInChI=1S/C18H15FN4O2S/c1-11-20-15-9-5-3-7-13(15)18(21-11)26-10-16(24)22-23-17(25)12-6-2-4-8-14(12)19/h2-9H,10H2,1H3,(H,22,24)(H,23,25)
InChIKeyHCFIBBBTJXPXDA-UHFFFAOYSA-N
MW370.41 g/mol
LogP2.63
Rot. Bonds4

About 2-fluoro-N'-[2-(2-methylquinazolin-4-yl)sulfanylacetyl]benzohydrazide

2-fluoro-N'-[2-(2-methylquinazolin-4-yl)sulfanylacetyl]benzohydrazide (PubChem CID 7134044) has the molecular formula C18H15FN4O2S and a molecular weight of 370.41 g/mol. Its IUPAC name is 2-fluoro-N'-[2-(2-methylquinazolin-4-yl)sulfanylacetyl]benzohydrazide.

Molecular Properties

Compound Name2-fluoro-N'-[2-(2-methylquinazolin-4-yl)sulfanylacetyl]benzohydrazide
PubChem CID7134044
Molecular FormulaC18H15FN4O2S
Molecular Weight370.41 g/mol
Exact Mass370.09
IUPAC Name2-fluoro-N'-[2-(2-methylquinazolin-4-yl)sulfanylacetyl]benzohydrazide
SMILESCc1nc(SCC(=O)NNC(=O)c2ccccc2F)c2ccccc2n1
InChIInChI=1S/C18H15FN4O2S/c1-11-20-15-9-5-3-7-13(15)18(21-11)26-10-16(24)22-23-17(25)12-6-2-4-8-14(12)19/h2-9H,10H2,1H3,(H,22,24)(H,23,25)
InChIKeyHCFIBBBTJXPXDA-UHFFFAOYSA-N
XLogP2.63
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 52.63
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

N'-acetyl-2-(2-methylquinazolin-4-yl)sulfanylacetohydrazide
CID 7133852
N-(2-methoxyethyl)-2-(2-methylquinazolin-4-yl)sulfanylacetamide
CID 7133990
N-(4-bromo-2-fluorophenyl)-2-(2-methylquinazolin-4-yl)sulfanylacetamide
CID 7145540
2-(2-methylquinazolin-4-yl)sulfanyl-N-naphthalen-1-ylacetamide
CID 7145516
N-(4-fluorophenyl)-2-[[2-(2-methylquinazolin-4-yl)sulfanylacetyl]amino]acetamide
CID 7145882
N-[2-(2-fluorophenyl)-5-methylpyrazol-3-yl]-2-(2-methylquinazolin-4-yl)sulfanylacetamide
CID 78900416
N-(2,6-dichlorophenyl)-2-(2-methylquinazolin-4-yl)sulfanylacetamide
CID 7145799
N-(2-chlorophenyl)-2-(2-methylquinazolin-4-yl)sulfanylacetamide
CID 7145483
N-[1-(4-chlorophenyl)ethyl]-2-(2-methylquinazolin-4-yl)sulfanylacetamide
CID 78452790
N-(2-chloro-4-fluorophenyl)-2-(2-methylquinazolin-4-yl)sulfanylacetamide
CID 7145542
N,N-dimethyl-2-(2-methylquinazolin-4-yl)sulfanylacetamide
CID 84601738
2-(2-methylquinazolin-4-yl)sulfanyl-N-(4-phenyldiazenylphenyl)acetamide
CID 7210077

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N'-[2-(2-methylquinazolin-4-yl)sulfanylacetyl]benzohydrazide?
The IUPAC name of 2-fluoro-N'-[2-(2-methylquinazolin-4-yl)sulfanylacetyl]benzohydrazide (CID 7134044) is 2-fluoro-N'-[2-(2-methylquinazolin-4-yl)sulfanylacetyl]benzohydrazide.
What is the SMILES notation for 2-fluoro-N'-[2-(2-methylquinazolin-4-yl)sulfanylacetyl]benzohydrazide?
The canonical SMILES for 2-fluoro-N'-[2-(2-methylquinazolin-4-yl)sulfanylacetyl]benzohydrazide is Cc1nc(SCC(=O)NNC(=O)c2ccccc2F)c2ccccc2n1.
What is the InChIKey of 2-fluoro-N'-[2-(2-methylquinazolin-4-yl)sulfanylacetyl]benzohydrazide?
The InChIKey is HCFIBBBTJXPXDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN4O2S/c1-11-20-15-9-5-3-7-13(15)18(21-11)26-10-16(24)22-23-17(25)12-6-2-4-8-14(12)19/h2-9H,10H2,1H3,(H,22,24)(H,23,25).
What are the key properties of 2-fluoro-N'-[2-(2-methylquinazolin-4-yl)sulfanylacetyl]benzohydrazide?
2-fluoro-N'-[2-(2-methylquinazolin-4-yl)sulfanylacetyl]benzohydrazide has a molecular weight of 370.41 g/mol, XLogP of 2.63, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N'-[2-(2-methylquinazolin-4-yl)sulfanylacetyl]benzohydrazide is sourced from PubChem (CID 7134044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).