N-(1-cyanocyclohexyl)-2-quinazolin-4-ylsulfanylacetamide

C17H18N4OS — CID 9324842

IUPACN-(1-cyanocyclohexyl)-2-quinazolin-4-ylsulfanylacetamide
SMILESN#CC1(NC(=O)CSc2ncnc3ccccc23)CCCCC1
InChIInChI=1S/C17H18N4OS/c18-11-17(8-4-1-5-9-17)21-15(22)10-23-16-13-6-2-3-7-14(13)19-12-20-16/h2-3,6-7,12H,1,4-5,8-10H2,(H,21,22)
InChIKeyOSRDNVVRMCXYCQ-UHFFFAOYSA-N
MW326.42 g/mol
LogP3.06
Rot. Bonds4

About N-(1-cyanocyclohexyl)-2-quinazolin-4-ylsulfanylacetamide

N-(1-cyanocyclohexyl)-2-quinazolin-4-ylsulfanylacetamide (PubChem CID 9324842) has the molecular formula C17H18N4OS and a molecular weight of 326.42 g/mol. Its IUPAC name is N-(1-cyanocyclohexyl)-2-quinazolin-4-ylsulfanylacetamide.

Molecular Properties

Compound NameN-(1-cyanocyclohexyl)-2-quinazolin-4-ylsulfanylacetamide
PubChem CID9324842
Molecular FormulaC17H18N4OS
Molecular Weight326.42 g/mol
Exact Mass326.12
IUPAC NameN-(1-cyanocyclohexyl)-2-quinazolin-4-ylsulfanylacetamide
SMILESN#CC1(NC(=O)CSc2ncnc3ccccc23)CCCCC1
InChIInChI=1S/C17H18N4OS/c18-11-17(8-4-1-5-9-17)21-15(22)10-23-16-13-6-2-3-7-14(13)19-12-20-16/h2-3,6-7,12H,1,4-5,8-10H2,(H,21,22)
InChIKeyOSRDNVVRMCXYCQ-UHFFFAOYSA-N
XLogP3.06
TPSA78.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-cyanocycloheptyl)-2-phenylsulfanylacetamide
CID 47149296
N-[4-(cyanomethyl)phenyl]-2-quinazolin-4-ylsulfanylacetamide
CID 8939437
N-(1-cyanocyclohexyl)-2-[1-(2-methylpropyl)benzimidazol-2-yl]sulfanylacetamide
CID 4819556
N-(1-cyanocyclohexyl)-2-[4-(ethylamino)quinazolin-2-yl]sulfanylacetamide
CID 27108470
N-(cyclohexylmethyl)-2-quinazolin-4-ylsulfanylacetamide
CID 2410535
N-(1-cyanocyclohexyl)-2-[3-(2-fluorophenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 4819488
N-tert-butyl-2-quinazolin-4-ylsulfanylacetamide
CID 2607919
2-[(5-amino-2-pyridinyl)sulfanyl]-N-(1-cyanocyclohexyl)acetamide
CID 43301358
2-[(6-amino-3-pyridinyl)sulfanyl]-N-(1-cyanocyclohexyl)acetamide
CID 43302044
N-(1-cyanocycloheptyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
CID 55539110
N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-quinazolin-4-ylsulfanylacetamide
CID 2362330
2-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(1-cyanocyclopentyl)acetamide
CID 4822981

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanocyclohexyl)-2-quinazolin-4-ylsulfanylacetamide?
The IUPAC name of N-(1-cyanocyclohexyl)-2-quinazolin-4-ylsulfanylacetamide (CID 9324842) is N-(1-cyanocyclohexyl)-2-quinazolin-4-ylsulfanylacetamide.
What is the SMILES notation for N-(1-cyanocyclohexyl)-2-quinazolin-4-ylsulfanylacetamide?
The canonical SMILES for N-(1-cyanocyclohexyl)-2-quinazolin-4-ylsulfanylacetamide is N#CC1(NC(=O)CSc2ncnc3ccccc23)CCCCC1.
What is the InChIKey of N-(1-cyanocyclohexyl)-2-quinazolin-4-ylsulfanylacetamide?
The InChIKey is OSRDNVVRMCXYCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4OS/c18-11-17(8-4-1-5-9-17)21-15(22)10-23-16-13-6-2-3-7-14(13)19-12-20-16/h2-3,6-7,12H,1,4-5,8-10H2,(H,21,22).
What are the key properties of N-(1-cyanocyclohexyl)-2-quinazolin-4-ylsulfanylacetamide?
N-(1-cyanocyclohexyl)-2-quinazolin-4-ylsulfanylacetamide has a molecular weight of 326.42 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanocyclohexyl)-2-quinazolin-4-ylsulfanylacetamide is sourced from PubChem (CID 9324842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).