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

C20H26N4O2S — CID 1442626

IUPACN'-[2-(2-propylquinazolin-4-yl)sulfanylacetyl]cyclohexanecarbohydrazide
SMILESCCCc1nc(SCC(=O)NNC(=O)C2CCCCC2)c2ccccc2n1
InChIInChI=1S/C20H26N4O2S/c1-2-8-17-21-16-12-7-6-11-15(16)20(22-17)27-13-18(25)23-24-19(26)14-9-4-3-5-10-14/h6-7,11-12,14H,2-5,8-10,13H2,1H3,(H,23,25)(H,24,26)
InChIKeyYAAOJFKWOGDMQD-UHFFFAOYSA-N
MW386.52 g/mol
LogP3.40
Rot. Bonds6

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

N'-[2-(2-propylquinazolin-4-yl)sulfanylacetyl]cyclohexanecarbohydrazide (PubChem CID 1442626) has the molecular formula C20H26N4O2S and a molecular weight of 386.52 g/mol. Its IUPAC name is N'-[2-(2-propylquinazolin-4-yl)sulfanylacetyl]cyclohexanecarbohydrazide.

Molecular Properties

Compound NameN'-[2-(2-propylquinazolin-4-yl)sulfanylacetyl]cyclohexanecarbohydrazide
PubChem CID1442626
Molecular FormulaC20H26N4O2S
Molecular Weight386.52 g/mol
Exact Mass386.18
IUPAC NameN'-[2-(2-propylquinazolin-4-yl)sulfanylacetyl]cyclohexanecarbohydrazide
SMILESCCCc1nc(SCC(=O)NNC(=O)C2CCCCC2)c2ccccc2n1
InChIInChI=1S/C20H26N4O2S/c1-2-8-17-21-16-12-7-6-11-15(16)20(22-17)27-13-18(25)23-24-19(26)14-9-4-3-5-10-14/h6-7,11-12,14H,2-5,8-10,13H2,1H3,(H,23,25)(H,24,26)
InChIKeyYAAOJFKWOGDMQD-UHFFFAOYSA-N
XLogP3.40
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.52
LogP ≤ 53.40
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-Cyclopropyl-quinazolin-4-ylsulfanyl)-N-m-tolyl-acetamide
CID 856981
N-Cyclopentyl-2-(2-propyl-quinazolin-4-ylsulfanyl)-acetamide
CID 1442575
1-(4-Fluorophenyl)-2-(2-propan-2-ylquinazolin-4-yl)sulfanylethanone
CID 1442866
CID 3221482
CID 3221482
2-[2-(1-Adamantyl)quinazolin-4-yl]sulfanylacetamide
CID 3221498
N'-methyl-N'-[2-(methylsulfanyl)-4-quinazolinyl]benzenecarbohydrazide
CID 1479813
(2-Isopropyl-quinazolin-4-ylsulfanyl)-acetic acid methyl ester
CID 652110
Methyl [(2-phenylquinazolin-4-yl)sulfanyl]acetate
CID 865071
2-(2-m-Tolyl-5,6,7,8-tetrahydro-quinazolin-4-ylsulfanyl)-acetamide
CID 1083055
Cyclohexanecarboxylic acid N'-[2-(2-ethyl-quinazolin-4-ylsulfanyl)-acetyl]-hydrazide
CID 1435013
N-(4-Acetyl-phenyl)-2-(2-cyclopropyl-quinazolin-4-ylsulfanyl)-acetamide
CID 1435055
2-(2-cyclopropylquinazolin-4-yl)sulfanyl-N-[4-(diethylamino)-3-methylphenyl]acetamide
CID 1435145

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2-propylquinazolin-4-yl)sulfanylacetyl]cyclohexanecarbohydrazide?
The IUPAC name of N'-[2-(2-propylquinazolin-4-yl)sulfanylacetyl]cyclohexanecarbohydrazide (CID 1442626) is N'-[2-(2-propylquinazolin-4-yl)sulfanylacetyl]cyclohexanecarbohydrazide.
What is the SMILES notation for N'-[2-(2-propylquinazolin-4-yl)sulfanylacetyl]cyclohexanecarbohydrazide?
The canonical SMILES for N'-[2-(2-propylquinazolin-4-yl)sulfanylacetyl]cyclohexanecarbohydrazide is CCCc1nc(SCC(=O)NNC(=O)C2CCCCC2)c2ccccc2n1.
What is the InChIKey of N'-[2-(2-propylquinazolin-4-yl)sulfanylacetyl]cyclohexanecarbohydrazide?
The InChIKey is YAAOJFKWOGDMQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2S/c1-2-8-17-21-16-12-7-6-11-15(16)20(22-17)27-13-18(25)23-24-19(26)14-9-4-3-5-10-14/h6-7,11-12,14H,2-5,8-10,13H2,1H3,(H,23,25)(H,24,26).
What are the key properties of N'-[2-(2-propylquinazolin-4-yl)sulfanylacetyl]cyclohexanecarbohydrazide?
N'-[2-(2-propylquinazolin-4-yl)sulfanylacetyl]cyclohexanecarbohydrazide has a molecular weight of 386.52 g/mol, XLogP of 3.40, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2-propylquinazolin-4-yl)sulfanylacetyl]cyclohexanecarbohydrazide is sourced from PubChem (CID 1442626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).