N-cyclohexyl-N-methyl-2-quinazolin-4-ylsulfanylacetamide

C17H21N3OS — CID 2379159

IUPACN-cyclohexyl-N-methyl-2-quinazolin-4-ylsulfanylacetamide
SMILESCN(C(=O)CSc1ncnc2ccccc12)C1CCCCC1
InChIInChI=1S/C17H21N3OS/c1-20(13-7-3-2-4-8-13)16(21)11-22-17-14-9-5-6-10-15(14)18-12-19-17/h5-6,9-10,12-13H,2-4,7-8,11H2,1H3
InChIKeyQWKJMOUHFMURPH-UHFFFAOYSA-N
MW315.44 g/mol
LogP3.51
Rot. Bonds4

About N-cyclohexyl-N-methyl-2-quinazolin-4-ylsulfanylacetamide

N-cyclohexyl-N-methyl-2-quinazolin-4-ylsulfanylacetamide (PubChem CID 2379159) has the molecular formula C17H21N3OS and a molecular weight of 315.44 g/mol. Its IUPAC name is N-cyclohexyl-N-methyl-2-quinazolin-4-ylsulfanylacetamide.

Molecular Properties

Compound NameN-cyclohexyl-N-methyl-2-quinazolin-4-ylsulfanylacetamide
PubChem CID2379159
Molecular FormulaC17H21N3OS
Molecular Weight315.44 g/mol
Exact Mass315.14
IUPAC NameN-cyclohexyl-N-methyl-2-quinazolin-4-ylsulfanylacetamide
SMILESCN(C(=O)CSc1ncnc2ccccc12)C1CCCCC1
InChIInChI=1S/C17H21N3OS/c1-20(13-7-3-2-4-8-13)16(21)11-22-17-14-9-5-6-10-15(14)18-12-19-17/h5-6,9-10,12-13H,2-4,7-8,11H2,1H3
InChIKeyQWKJMOUHFMURPH-UHFFFAOYSA-N
XLogP3.51
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-Acetyl-1-piperazinyl)quinazoline
CID 594152
2-(2-Cyclopropyl-quinazolin-4-ylsulfanyl)-N-m-tolyl-acetamide
CID 856981
2-(2-Cyclopropyl-quinazolin-4-ylsulfanyl)-1-(4-methyl-piperidin-1-yl)-ethanone
CID 856987
2-[(4,6-dimethyl-2-pyrimidinyl)thio]-N-4-quinolinylacetamide
CID 934786
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(4-methylpyrimidin-2-yl)sulfanylethanone
CID 1154148
2-(2-Cyclopropylquinazolin-4-yl)sulfanyl-1-piperidin-1-ylethanone
CID 1435085
Propan-2-yl 2-(2-benzylquinazolin-4-yl)sulfanylacetate
CID 1442567
N-Cyclopentyl-2-(2-propyl-quinazolin-4-ylsulfanyl)-acetamide
CID 1442575
N-cyclohexyl-N-ethyl-2-quinolin-2-ylsulfanylacetamide
CID 2409158
(2-Phenyl-quinazolin-4-ylsulfanyl)-acetonitrile
CID 3141919
CID 3221482
CID 3221482
N-(1,1-dioxothiolan-3-yl)-2-quinazolin-4-ylthioacetamide
CID 4367484

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-methyl-2-quinazolin-4-ylsulfanylacetamide?
The IUPAC name of N-cyclohexyl-N-methyl-2-quinazolin-4-ylsulfanylacetamide (CID 2379159) is N-cyclohexyl-N-methyl-2-quinazolin-4-ylsulfanylacetamide.
What is the SMILES notation for N-cyclohexyl-N-methyl-2-quinazolin-4-ylsulfanylacetamide?
The canonical SMILES for N-cyclohexyl-N-methyl-2-quinazolin-4-ylsulfanylacetamide is CN(C(=O)CSc1ncnc2ccccc12)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-N-methyl-2-quinazolin-4-ylsulfanylacetamide?
The InChIKey is QWKJMOUHFMURPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3OS/c1-20(13-7-3-2-4-8-13)16(21)11-22-17-14-9-5-6-10-15(14)18-12-19-17/h5-6,9-10,12-13H,2-4,7-8,11H2,1H3.
What are the key properties of N-cyclohexyl-N-methyl-2-quinazolin-4-ylsulfanylacetamide?
N-cyclohexyl-N-methyl-2-quinazolin-4-ylsulfanylacetamide has a molecular weight of 315.44 g/mol, XLogP of 3.51, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-methyl-2-quinazolin-4-ylsulfanylacetamide is sourced from PubChem (CID 2379159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).