N'-[2-(2-ethylquinazolin-4-yl)sulfanylacetyl]cyclohexanecarbohydrazide

C19H24N4O2S — CID 1435013

IUPACN'-[2-(2-ethylquinazolin-4-yl)sulfanylacetyl]cyclohexanecarbohydrazide
SMILESCCc1nc(SCC(=O)NNC(=O)C2CCCCC2)c2ccccc2n1
InChIInChI=1S/C19H24N4O2S/c1-2-16-20-15-11-7-6-10-14(15)19(21-16)26-12-17(24)22-23-18(25)13-8-4-3-5-9-13/h6-7,10-11,13H,2-5,8-9,12H2,1H3,(H,22,24)(H,23,25)
InChIKeyGKWDCDIUUPYSEC-UHFFFAOYSA-N
MW372.49 g/mol
LogP3.01
Rot. Bonds5

About N'-[2-(2-ethylquinazolin-4-yl)sulfanylacetyl]cyclohexanecarbohydrazide

N'-[2-(2-ethylquinazolin-4-yl)sulfanylacetyl]cyclohexanecarbohydrazide (PubChem CID 1435013) has the molecular formula C19H24N4O2S and a molecular weight of 372.49 g/mol. Its IUPAC name is N'-[2-(2-ethylquinazolin-4-yl)sulfanylacetyl]cyclohexanecarbohydrazide.

Molecular Properties

Compound NameN'-[2-(2-ethylquinazolin-4-yl)sulfanylacetyl]cyclohexanecarbohydrazide
PubChem CID1435013
Molecular FormulaC19H24N4O2S
Molecular Weight372.49 g/mol
Exact Mass372.16
IUPAC NameN'-[2-(2-ethylquinazolin-4-yl)sulfanylacetyl]cyclohexanecarbohydrazide
SMILESCCc1nc(SCC(=O)NNC(=O)C2CCCCC2)c2ccccc2n1
InChIInChI=1S/C19H24N4O2S/c1-2-16-20-15-11-7-6-10-14(15)19(21-16)26-12-17(24)22-23-18(25)13-8-4-3-5-9-13/h6-7,10-11,13H,2-5,8-9,12H2,1H3,(H,22,24)(H,23,25)
InChIKeyGKWDCDIUUPYSEC-UHFFFAOYSA-N
XLogP3.01
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 53.01
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-(2-ethylquinazolin-4-yl)sulfanyl-N-(oxolan-2-ylmethyl)acetamide
CID 3749912
N'-(2-phenylsulfanylacetyl)cyclohexanecarbohydrazide
CID 2122299
N'-[2-(3-ethyl-7-methylquinolin-2-yl)sulfanylacetyl]cyclohexanecarbohydrazide
CID 1440438
N'-acetyl-2-(2-methylquinazolin-4-yl)sulfanylacetohydrazide
CID 7133852
ethyl 2-[[2-(2-ethylquinazolin-4-yl)sulfanylacetyl]amino]benzoate
CID 3192182
N'-[2-(3-ethyl-7-methoxyquinolin-2-yl)sulfanylacetyl]cyclohexanecarbohydrazide
CID 3208084
N-(1,3-benzodioxol-5-ylmethyl)-2-(2-ethylquinazolin-4-yl)sulfanylacetamide
CID 1435027
N-tert-butyl-2-(2-cyclohexylquinazolin-4-yl)sulfanylacetamide
CID 1465918
N-(2-ethyl-4-oxoquinazolin-3-yl)cycloheptanecarboxamide
CID 24823328
methyl 3-[[2-(2-ethylquinazolin-4-yl)sulfanylacetyl]amino]benzoate
CID 1435010
N-[(2S)-butan-2-yl]-2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanylacetamide
CID 30253432
N-[(1S,2S)-2-methylcyclohexyl]-2-(2-phenylquinazolin-4-yl)sulfanylacetamide
CID 7116672

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2-ethylquinazolin-4-yl)sulfanylacetyl]cyclohexanecarbohydrazide?
The IUPAC name of N'-[2-(2-ethylquinazolin-4-yl)sulfanylacetyl]cyclohexanecarbohydrazide (CID 1435013) is N'-[2-(2-ethylquinazolin-4-yl)sulfanylacetyl]cyclohexanecarbohydrazide.
What is the SMILES notation for N'-[2-(2-ethylquinazolin-4-yl)sulfanylacetyl]cyclohexanecarbohydrazide?
The canonical SMILES for N'-[2-(2-ethylquinazolin-4-yl)sulfanylacetyl]cyclohexanecarbohydrazide is CCc1nc(SCC(=O)NNC(=O)C2CCCCC2)c2ccccc2n1.
What is the InChIKey of N'-[2-(2-ethylquinazolin-4-yl)sulfanylacetyl]cyclohexanecarbohydrazide?
The InChIKey is GKWDCDIUUPYSEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2S/c1-2-16-20-15-11-7-6-10-14(15)19(21-16)26-12-17(24)22-23-18(25)13-8-4-3-5-9-13/h6-7,10-11,13H,2-5,8-9,12H2,1H3,(H,22,24)(H,23,25).
What are the key properties of N'-[2-(2-ethylquinazolin-4-yl)sulfanylacetyl]cyclohexanecarbohydrazide?
N'-[2-(2-ethylquinazolin-4-yl)sulfanylacetyl]cyclohexanecarbohydrazide has a molecular weight of 372.49 g/mol, XLogP of 3.01, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2-ethylquinazolin-4-yl)sulfanylacetyl]cyclohexanecarbohydrazide is sourced from PubChem (CID 1435013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).