2-[(4-hydroxycyclohexyl)sulfanylmethyl]-3H-quinazolin-4-one

C15H18N2O2S — CID 175701929

IUPAC2-[(4-hydroxycyclohexyl)sulfanylmethyl]-3H-quinazolin-4-one
SMILESO=c1[nH]c(CSC2CCC(O)CC2)nc2ccccc12
InChIInChI=1S/C15H18N2O2S/c18-10-5-7-11(8-6-10)20-9-14-16-13-4-2-1-3-12(13)15(19)17-14/h1-4,10-11,18H,5-9H2,(H,16,17,19)
InChIKeyTVSBRXRBBCAJIZ-UHFFFAOYSA-N
MW290.39 g/mol
LogP2.46
Rot. Bonds3

About 2-[(4-hydroxycyclohexyl)sulfanylmethyl]-3H-quinazolin-4-one

2-[(4-hydroxycyclohexyl)sulfanylmethyl]-3H-quinazolin-4-one (PubChem CID 175701929) has the molecular formula C15H18N2O2S and a molecular weight of 290.39 g/mol. Its IUPAC name is 2-[(4-hydroxycyclohexyl)sulfanylmethyl]-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-[(4-hydroxycyclohexyl)sulfanylmethyl]-3H-quinazolin-4-one
PubChem CID175701929
Molecular FormulaC15H18N2O2S
Molecular Weight290.39 g/mol
Exact Mass290.11
IUPAC Name2-[(4-hydroxycyclohexyl)sulfanylmethyl]-3H-quinazolin-4-one
SMILESO=c1[nH]c(CSC2CCC(O)CC2)nc2ccccc12
InChIInChI=1S/C15H18N2O2S/c18-10-5-7-11(8-6-10)20-9-14-16-13-4-2-1-3-12(13)15(19)17-14/h1-4,10-11,18H,5-9H2,(H,16,17,19)
InChIKeyTVSBRXRBBCAJIZ-UHFFFAOYSA-N
XLogP2.46
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

7-anilino-2-[(4-hydroxycyclohexyl)sulfanylmethyl]-3H-quinazolin-4-one
CID 138696820
5-fluoro-7-hydroxy-2-[(4-hydroxycyclohexyl)sulfanylmethyl]-3H-quinazolin-4-one
CID 138697166
7-(cyclopentylamino)-6-fluoro-2-[(4-hydroxycyclohexyl)sulfanylmethyl]-3H-quinazolin-4-one
CID 138696942
7-amino-2-(oxan-4-ylsulfanylmethyl)-3H-quinazolin-4-one
CID 138696770
2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-3H-quinazolin-4-one
CID 135766712
4-[(4-oxo-3H-quinazolin-2-yl)methylsulfanyl]benzaldehyde
CID 136713861
2-[(3-oxo-3-piperazin-1-ylpropyl)sulfanylmethyl]-3H-quinazolin-4-one
CID 137052586
7-(dimethylamino)-2-(oxan-4-ylsulfanylmethyl)-3H-quinazolin-4-one
CID 138696777
2-[[4-(aminomethyl)cyclohexyl]sulfanylmethyl]-8-methyl-3H-quinazolin-4-one
CID 138696746
2-[(4-cyclopropyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-3H-quinazolin-4-one
CID 135589948
2-[(2-fluorophenyl)sulfanylmethyl]-3H-quinazolin-4-one
CID 135808810
2-(aminomethyl)-3H-quinazolin-4-one;dihydrochloride
CID 137032189

Frequently Asked Questions

What is the IUPAC name of 2-[(4-hydroxycyclohexyl)sulfanylmethyl]-3H-quinazolin-4-one?
The IUPAC name of 2-[(4-hydroxycyclohexyl)sulfanylmethyl]-3H-quinazolin-4-one (CID 175701929) is 2-[(4-hydroxycyclohexyl)sulfanylmethyl]-3H-quinazolin-4-one.
What is the SMILES notation for 2-[(4-hydroxycyclohexyl)sulfanylmethyl]-3H-quinazolin-4-one?
The canonical SMILES for 2-[(4-hydroxycyclohexyl)sulfanylmethyl]-3H-quinazolin-4-one is O=c1[nH]c(CSC2CCC(O)CC2)nc2ccccc12.
What is the InChIKey of 2-[(4-hydroxycyclohexyl)sulfanylmethyl]-3H-quinazolin-4-one?
The InChIKey is TVSBRXRBBCAJIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2S/c18-10-5-7-11(8-6-10)20-9-14-16-13-4-2-1-3-12(13)15(19)17-14/h1-4,10-11,18H,5-9H2,(H,16,17,19).
What are the key properties of 2-[(4-hydroxycyclohexyl)sulfanylmethyl]-3H-quinazolin-4-one?
2-[(4-hydroxycyclohexyl)sulfanylmethyl]-3H-quinazolin-4-one has a molecular weight of 290.39 g/mol, XLogP of 2.46, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-hydroxycyclohexyl)sulfanylmethyl]-3H-quinazolin-4-one is sourced from PubChem (CID 175701929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).