7,7-dimethyl-2-(2-methylpropylsulfanylmethyl)-6,8-dihydroquinazolin-5-one

C15H22N2OS — CID 65137502

IUPAC7,7-dimethyl-2-(2-methylpropylsulfanylmethyl)-6,8-dihydroquinazolin-5-one
SMILESCC(C)CSCc1ncc2c(n1)CC(C)(C)CC2=O
InChIInChI=1S/C15H22N2OS/c1-10(2)8-19-9-14-16-7-11-12(17-14)5-15(3,4)6-13(11)18/h7,10H,5-6,8-9H2,1-4H3
InChIKeyOYZUDSBZPSMQNJ-UHFFFAOYSA-N
MW278.42 g/mol
LogP3.52
Rot. Bonds4

About 7,7-dimethyl-2-(2-methylpropylsulfanylmethyl)-6,8-dihydroquinazolin-5-one

7,7-dimethyl-2-(2-methylpropylsulfanylmethyl)-6,8-dihydroquinazolin-5-one (PubChem CID 65137502) has the molecular formula C15H22N2OS and a molecular weight of 278.42 g/mol. Its IUPAC name is 7,7-dimethyl-2-(2-methylpropylsulfanylmethyl)-6,8-dihydroquinazolin-5-one.

Molecular Properties

Compound Name7,7-dimethyl-2-(2-methylpropylsulfanylmethyl)-6,8-dihydroquinazolin-5-one
PubChem CID65137502
Molecular FormulaC15H22N2OS
Molecular Weight278.42 g/mol
Exact Mass278.15
IUPAC Name7,7-dimethyl-2-(2-methylpropylsulfanylmethyl)-6,8-dihydroquinazolin-5-one
SMILESCC(C)CSCc1ncc2c(n1)CC(C)(C)CC2=O
InChIInChI=1S/C15H22N2OS/c1-10(2)8-19-9-14-16-7-11-12(17-14)5-15(3,4)6-13(11)18/h7,10H,5-6,8-9H2,1-4H3
InChIKeyOYZUDSBZPSMQNJ-UHFFFAOYSA-N
XLogP3.52
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

7,7-dimethyl-2-(phenylsulfanylmethyl)-6,8-dihydroquinazolin-5-one
CID 65143399
7,7-dimethyl-2-(methylsulfonylmethyl)-6,8-dihydroquinazolin-5-one
CID 62474010
2-[2-(diethylamino)ethyl]-7,7-dimethyl-6,8-dihydroquinazolin-5-one
CID 62009664
7,7-dimethyl-2-(2,2,2-trifluoroethoxymethyl)-6,8-dihydroquinazolin-5-one
CID 103476133
2-[(5-tert-butyl-1,2-oxazol-3-yl)methylsulfanyl]-7,7-dimethyl-6,8-dihydroquinazolin-5-one
CID 166248246
2-[(3-chlorophenyl)methyl]-7,7-dimethyl-6,8-dihydroquinazolin-5-one
CID 62007871
2-(1-methoxypropyl)-7,7-dimethyl-6,8-dihydroquinazolin-5-one
CID 116728284
2-(5-fluoro-2-pyridinyl)-7,7-dimethyl-6,8-dihydroquinazolin-5-one
CID 79713618
2-(2-ethylphenyl)-7,7-dimethyl-6,8-dihydroquinazolin-5-one
CID 62391065
N-(7,7-dimethyl-5-oxo-6,8-dihydroquinazolin-2-yl)-4-methylbenzenesulfonamide
CID 17228443
2-(4-bromophenyl)-7,7-dimethyl-6,8-dihydroquinazolin-5-one
CID 62007872
2-(3,5-dichlorophenyl)-7,7-dimethyl-6,8-dihydroquinazolin-5-one
CID 62008465

Frequently Asked Questions

What is the IUPAC name of 7,7-dimethyl-2-(2-methylpropylsulfanylmethyl)-6,8-dihydroquinazolin-5-one?
The IUPAC name of 7,7-dimethyl-2-(2-methylpropylsulfanylmethyl)-6,8-dihydroquinazolin-5-one (CID 65137502) is 7,7-dimethyl-2-(2-methylpropylsulfanylmethyl)-6,8-dihydroquinazolin-5-one.
What is the SMILES notation for 7,7-dimethyl-2-(2-methylpropylsulfanylmethyl)-6,8-dihydroquinazolin-5-one?
The canonical SMILES for 7,7-dimethyl-2-(2-methylpropylsulfanylmethyl)-6,8-dihydroquinazolin-5-one is CC(C)CSCc1ncc2c(n1)CC(C)(C)CC2=O.
What is the InChIKey of 7,7-dimethyl-2-(2-methylpropylsulfanylmethyl)-6,8-dihydroquinazolin-5-one?
The InChIKey is OYZUDSBZPSMQNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2OS/c1-10(2)8-19-9-14-16-7-11-12(17-14)5-15(3,4)6-13(11)18/h7,10H,5-6,8-9H2,1-4H3.
What are the key properties of 7,7-dimethyl-2-(2-methylpropylsulfanylmethyl)-6,8-dihydroquinazolin-5-one?
7,7-dimethyl-2-(2-methylpropylsulfanylmethyl)-6,8-dihydroquinazolin-5-one has a molecular weight of 278.42 g/mol, XLogP of 3.52, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dimethyl-2-(2-methylpropylsulfanylmethyl)-6,8-dihydroquinazolin-5-one is sourced from PubChem (CID 65137502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).