3-(3-methylbutyl)-2-methylsulfanylquinazolin-4-one

C14H18N2OS — CID 84603727

IUPAC3-(3-methylbutyl)-2-methylsulfanylquinazolin-4-one
SMILESCSc1nc2ccccc2c(=O)n1CCC(C)C
InChIInChI=1S/C14H18N2OS/c1-10(2)8-9-16-13(17)11-6-4-5-7-12(11)15-14(16)18-3/h4-7,10H,8-9H2,1-3H3
InChIKeyVRYPRCBFVDUPAM-UHFFFAOYSA-N
MW262.38 g/mol
LogP3.16
Rot. Bonds4

About 3-(3-methylbutyl)-2-methylsulfanylquinazolin-4-one

3-(3-methylbutyl)-2-methylsulfanylquinazolin-4-one (PubChem CID 84603727) has the molecular formula C14H18N2OS and a molecular weight of 262.38 g/mol. Its IUPAC name is 3-(3-methylbutyl)-2-methylsulfanylquinazolin-4-one.

Molecular Properties

Compound Name3-(3-methylbutyl)-2-methylsulfanylquinazolin-4-one
PubChem CID84603727
Molecular FormulaC14H18N2OS
Molecular Weight262.38 g/mol
Exact Mass262.11
IUPAC Name3-(3-methylbutyl)-2-methylsulfanylquinazolin-4-one
SMILESCSc1nc2ccccc2c(=O)n1CCC(C)C
InChIInChI=1S/C14H18N2OS/c1-10(2)8-9-16-13(17)11-6-4-5-7-12(11)15-14(16)18-3/h4-7,10H,8-9H2,1-3H3
InChIKeyVRYPRCBFVDUPAM-UHFFFAOYSA-N
XLogP3.16
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-methylbutyl)-2-(2-methylprop-2-enylsulfanyl)quinazolin-4-one
CID 112777878
2-[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl-3-(3-methylbutyl)quinazolin-4-one
CID 7465822
trimethyl-[3-(2-methylsulfanyl-4-oxoquinazolin-3-yl)propyl]azanium
CID 57331409
tert-butyl 2-[3-(3-methylbutyl)-4-oxoquinazolin-2-yl]sulfanylacetate
CID 55311667
N-(2-fluorophenyl)-2-[3-(3-methylbutyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 7713171
2-(2-methylsulfanyl-4-oxoquinazolin-3-yl)acetic acid
CID 94075132
N-(4-fluorophenyl)-2-[3-(3-methylbutyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 7465834
(2R)-N-carbamoyl-2-[3-(3-methylbutyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide
CID 7465805
methyl 3-(2-methylsulfanyl-4-oxoquinazolin-3-yl)propanoate
CID 9066303
N-(4-acetamidophenyl)-2-[3-(3-methylbutyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 16517299
3-(3-methylbutyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylquinazolin-4-one
CID 16517277
N-(3-methylbutylcarbamoyl)-2-[3-(3-methylbutyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 7713138

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylbutyl)-2-methylsulfanylquinazolin-4-one?
The IUPAC name of 3-(3-methylbutyl)-2-methylsulfanylquinazolin-4-one (CID 84603727) is 3-(3-methylbutyl)-2-methylsulfanylquinazolin-4-one.
What is the SMILES notation for 3-(3-methylbutyl)-2-methylsulfanylquinazolin-4-one?
The canonical SMILES for 3-(3-methylbutyl)-2-methylsulfanylquinazolin-4-one is CSc1nc2ccccc2c(=O)n1CCC(C)C.
What is the InChIKey of 3-(3-methylbutyl)-2-methylsulfanylquinazolin-4-one?
The InChIKey is VRYPRCBFVDUPAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2OS/c1-10(2)8-9-16-13(17)11-6-4-5-7-12(11)15-14(16)18-3/h4-7,10H,8-9H2,1-3H3.
What are the key properties of 3-(3-methylbutyl)-2-methylsulfanylquinazolin-4-one?
3-(3-methylbutyl)-2-methylsulfanylquinazolin-4-one has a molecular weight of 262.38 g/mol, XLogP of 3.16, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylbutyl)-2-methylsulfanylquinazolin-4-one is sourced from PubChem (CID 84603727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).