2-(7-chloro-3-cyclohexyl-4-oxoquinazolin-2-yl)sulfanyl-N-prop-2-enylacetamide

C19H22ClN3O2S — CID 2530674

IUPAC2-(7-chloro-3-cyclohexyl-4-oxoquinazolin-2-yl)sulfanyl-N-prop-2-enylacetamide
SMILESC=CCNC(=O)CSc1nc2cc(Cl)ccc2c(=O)n1C1CCCCC1
InChIInChI=1S/C19H22ClN3O2S/c1-2-10-21-17(24)12-26-19-22-16-11-13(20)8-9-15(16)18(25)23(19)14-6-4-3-5-7-14/h2,8-9,11,14H,1,3-7,10,12H2,(H,21,24)
InChIKeyXRVMXFRWTFRISA-UHFFFAOYSA-N
MW391.92 g/mol
LogP3.95
Rot. Bonds6

About 2-(7-chloro-3-cyclohexyl-4-oxoquinazolin-2-yl)sulfanyl-N-prop-2-enylacetamide

2-(7-chloro-3-cyclohexyl-4-oxoquinazolin-2-yl)sulfanyl-N-prop-2-enylacetamide (PubChem CID 2530674) has the molecular formula C19H22ClN3O2S and a molecular weight of 391.92 g/mol. Its IUPAC name is 2-(7-chloro-3-cyclohexyl-4-oxoquinazolin-2-yl)sulfanyl-N-prop-2-enylacetamide.

Molecular Properties

Compound Name2-(7-chloro-3-cyclohexyl-4-oxoquinazolin-2-yl)sulfanyl-N-prop-2-enylacetamide
PubChem CID2530674
Molecular FormulaC19H22ClN3O2S
Molecular Weight391.92 g/mol
Exact Mass391.11
IUPAC Name2-(7-chloro-3-cyclohexyl-4-oxoquinazolin-2-yl)sulfanyl-N-prop-2-enylacetamide
SMILESC=CCNC(=O)CSc1nc2cc(Cl)ccc2c(=O)n1C1CCCCC1
InChIInChI=1S/C19H22ClN3O2S/c1-2-10-21-17(24)12-26-19-22-16-11-13(20)8-9-15(16)18(25)23(19)14-6-4-3-5-7-14/h2,8-9,11,14H,1,3-7,10,12H2,(H,21,24)
InChIKeyXRVMXFRWTFRISA-UHFFFAOYSA-N
XLogP3.95
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.92
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

7-chloro-3-cyclohexyl-2-(2-oxopropylsulfanyl)quinazolin-4-one
CID 2531783
2-(7-chloro-3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanyl-N-(3-chlorophenyl)acetamide
CID 2418977
2-(7-chloro-3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanyl-N-[(2S)-3-methylbutan-2-yl]acetamide
CID 2662815
2-(7-chloro-4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanyl-N-(cyclohexylmethyl)acetamide
CID 16504836
2-(7-chloro-3-cyclohexyl-4-oxoquinazolin-2-yl)sulfanyl-N-(3-methyl-1,2-oxazol-5-yl)acetamide
CID 24596557
4-(7-chloro-3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanylbutanenitrile
CID 4783005
2-(7-chloro-4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanyl-N-(cyclopropylmethyl)acetamide
CID 46525818
7-chloro-3-cyclopentyl-2-[[(2S)-oxolan-2-yl]methylsulfanyl]quinazolin-4-one
CID 40952418
2-(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanyl-N-[(4-fluorophenyl)methyl]acetamide
CID 2561583
N-butyl-2-(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanylacetamide
CID 3245927
2-(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanyl-N-prop-2-enylpropanamide
CID 42896909
2-(6-chloro-4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanyl-N-cyclooctylacetamide
CID 2487939

Frequently Asked Questions

What is the IUPAC name of 2-(7-chloro-3-cyclohexyl-4-oxoquinazolin-2-yl)sulfanyl-N-prop-2-enylacetamide?
The IUPAC name of 2-(7-chloro-3-cyclohexyl-4-oxoquinazolin-2-yl)sulfanyl-N-prop-2-enylacetamide (CID 2530674) is 2-(7-chloro-3-cyclohexyl-4-oxoquinazolin-2-yl)sulfanyl-N-prop-2-enylacetamide.
What is the SMILES notation for 2-(7-chloro-3-cyclohexyl-4-oxoquinazolin-2-yl)sulfanyl-N-prop-2-enylacetamide?
The canonical SMILES for 2-(7-chloro-3-cyclohexyl-4-oxoquinazolin-2-yl)sulfanyl-N-prop-2-enylacetamide is C=CCNC(=O)CSc1nc2cc(Cl)ccc2c(=O)n1C1CCCCC1.
What is the InChIKey of 2-(7-chloro-3-cyclohexyl-4-oxoquinazolin-2-yl)sulfanyl-N-prop-2-enylacetamide?
The InChIKey is XRVMXFRWTFRISA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O2S/c1-2-10-21-17(24)12-26-19-22-16-11-13(20)8-9-15(16)18(25)23(19)14-6-4-3-5-7-14/h2,8-9,11,14H,1,3-7,10,12H2,(H,21,24).
What are the key properties of 2-(7-chloro-3-cyclohexyl-4-oxoquinazolin-2-yl)sulfanyl-N-prop-2-enylacetamide?
2-(7-chloro-3-cyclohexyl-4-oxoquinazolin-2-yl)sulfanyl-N-prop-2-enylacetamide has a molecular weight of 391.92 g/mol, XLogP of 3.95, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-chloro-3-cyclohexyl-4-oxoquinazolin-2-yl)sulfanyl-N-prop-2-enylacetamide is sourced from PubChem (CID 2530674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).