3-(cyclohexylmethyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylquinazolin-4-one

C21H27N3O3S — CID 660124

IUPAC3-(cyclohexylmethyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylquinazolin-4-one
SMILESO=C(CSc1nc2ccccc2c(=O)n1CC1CCCCC1)N1CCOCC1
InChIInChI=1S/C21H27N3O3S/c25-19(23-10-12-27-13-11-23)15-28-21-22-18-9-5-4-8-17(18)20(26)24(21)14-16-6-2-1-3-7-16/h4-5,8-9,16H,1-3,6-7,10-15H2
InChIKeyCPURNIXKFQRFPW-UHFFFAOYSA-N
MW401.53 g/mol
LogP2.93
Rot. Bonds5

About 3-(cyclohexylmethyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylquinazolin-4-one

3-(cyclohexylmethyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylquinazolin-4-one (PubChem CID 660124) has the molecular formula C21H27N3O3S and a molecular weight of 401.53 g/mol. Its IUPAC name is 3-(cyclohexylmethyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylquinazolin-4-one.

Molecular Properties

Compound Name3-(cyclohexylmethyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylquinazolin-4-one
PubChem CID660124
Molecular FormulaC21H27N3O3S
Molecular Weight401.53 g/mol
Exact Mass401.18
IUPAC Name3-(cyclohexylmethyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylquinazolin-4-one
SMILESO=C(CSc1nc2ccccc2c(=O)n1CC1CCCCC1)N1CCOCC1
InChIInChI=1S/C21H27N3O3S/c25-19(23-10-12-27-13-11-23)15-28-21-22-18-9-5-4-8-17(18)20(26)24(21)14-16-6-2-1-3-7-16/h4-5,8-9,16H,1-3,6-7,10-15H2
InChIKeyCPURNIXKFQRFPW-UHFFFAOYSA-N
XLogP2.93
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.53
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-((2-piperidin-1-ylethyl)thio)quinazolin-4(3H)-one
CID 135520446
2-Benzylsulfanyl-3-phenylquinazolin-4-one
CID 806148
Bis-quinazolinone 5
CID 145996538
Ethyl 2-[3-(cyclohexylmethyl)-4-oxoquinazolin-2-yl]sulfanylpropanoate
CID 2959700
N-cyclohexyl-2-[(4-oxo-1H-quinazolin-2-yl)sulfanyl]acetamide
CID 135408823
3-Cyclohexyl-2-methylsulfanylquinazolin-4-one
CID 866369
2-(3-Isopropoxy-4-oxo-3,4-dihydro-quinazolin-2-ylsulfanyl)-N,N-dimethyl-acetamide
CID 947562
3-(2,2-Dimethyloxan-4-yl)-2-methylsulfanylquinazolin-4-one
CID 3143123
3-methyl-2-[(2-methylbenzyl)sulfanyl]quinazolin-4(3H)-one
CID 17020007
3-methyl-2-[(3-methylbenzyl)sulfanyl]quinazolin-4(3H)-one
CID 17020009
Ethyl 2-[3-(cyclopentylmethyl)-4-oxoquinazolin-2-yl]sulfanylacetate
CID 791485
2-[(3-methyl-4-oxo-2-quinazolinyl)thio]-N-phenylacetamide
CID 855776

Frequently Asked Questions

What is the IUPAC name of 3-(cyclohexylmethyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylquinazolin-4-one?
The IUPAC name of 3-(cyclohexylmethyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylquinazolin-4-one (CID 660124) is 3-(cyclohexylmethyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylquinazolin-4-one.
What is the SMILES notation for 3-(cyclohexylmethyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylquinazolin-4-one?
The canonical SMILES for 3-(cyclohexylmethyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylquinazolin-4-one is O=C(CSc1nc2ccccc2c(=O)n1CC1CCCCC1)N1CCOCC1.
What is the InChIKey of 3-(cyclohexylmethyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylquinazolin-4-one?
The InChIKey is CPURNIXKFQRFPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O3S/c25-19(23-10-12-27-13-11-23)15-28-21-22-18-9-5-4-8-17(18)20(26)24(21)14-16-6-2-1-3-7-16/h4-5,8-9,16H,1-3,6-7,10-15H2.
What are the key properties of 3-(cyclohexylmethyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylquinazolin-4-one?
3-(cyclohexylmethyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylquinazolin-4-one has a molecular weight of 401.53 g/mol, XLogP of 2.93, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclohexylmethyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylquinazolin-4-one is sourced from PubChem (CID 660124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).