2-(2-methylpropylsulfanyl)-3-naphthalen-2-ylquinazolin-4-one

C22H20N2OS — CID 10570525

IUPAC2-(2-methylpropylsulfanyl)-3-naphthalen-2-ylquinazolin-4-one
SMILESCC(C)CSc1nc2ccccc2c(=O)n1-c1ccc2ccccc2c1
InChIInChI=1S/C22H20N2OS/c1-15(2)14-26-22-23-20-10-6-5-9-19(20)21(25)24(22)18-12-11-16-7-3-4-8-17(16)13-18/h3-13,15H,14H2,1-2H3
InChIKeyBQDTXHSSJDWWJF-UHFFFAOYSA-N
MW360.48 g/mol
LogP5.29
Rot. Bonds4

About 2-(2-methylpropylsulfanyl)-3-naphthalen-2-ylquinazolin-4-one

2-(2-methylpropylsulfanyl)-3-naphthalen-2-ylquinazolin-4-one (PubChem CID 10570525) has the molecular formula C22H20N2OS and a molecular weight of 360.48 g/mol. Its IUPAC name is 2-(2-methylpropylsulfanyl)-3-naphthalen-2-ylquinazolin-4-one.

Molecular Properties

Compound Name2-(2-methylpropylsulfanyl)-3-naphthalen-2-ylquinazolin-4-one
PubChem CID10570525
Molecular FormulaC22H20N2OS
Molecular Weight360.48 g/mol
Exact Mass360.13
IUPAC Name2-(2-methylpropylsulfanyl)-3-naphthalen-2-ylquinazolin-4-one
SMILESCC(C)CSc1nc2ccccc2c(=O)n1-c1ccc2ccccc2c1
InChIInChI=1S/C22H20N2OS/c1-15(2)14-26-22-23-20-10-6-5-9-19(20)21(25)24(22)18-12-11-16-7-3-4-8-17(16)13-18/h3-13,15H,14H2,1-2H3
InChIKeyBQDTXHSSJDWWJF-UHFFFAOYSA-N
XLogP5.29
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.48
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethylsulfanyl-3-(3-methoxyphenyl)quinazolin-4-one
CID 714917
2-ethylsulfanyl-3-(4-fluorophenyl)quinazolin-4-one
CID 2652423
3-(3-methylphenyl)-2-(2-methylpropyldisulfanyl)quinazolin-4-one
CID 135397836
3-(4-methoxyphenyl)-2-[(4-propan-2-ylphenyl)methylsulfanyl]quinazolin-4-one
CID 7253272
4-[2-(3-methylbutylsulfanyl)-4-oxoquinazolin-3-yl]benzoic acid
CID 101077252
N-naphthalen-2-yl-2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylacetamide
CID 4666942
3-(3,4-dimethoxyphenyl)-2-[2-(4-ethoxyphenoxy)ethylsulfanyl]quinazolin-4-one
CID 3462094
2-[3-(3,4-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-[(2R)-pentan-2-yl]acetamide
CID 2693503
3-[4-[(2R)-butan-2-yl]phenyl]-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]quinazolin-4-one
CID 7629175
propan-2-yl 2-[3-(3,5-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetate
CID 7853599
2-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetic acid
CID 1071935
3-(4-ethoxyphenyl)-2-[(1S)-1-(4-fluorophenyl)ethyl]sulfanylquinazolin-4-one
CID 7857004

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropylsulfanyl)-3-naphthalen-2-ylquinazolin-4-one?
The IUPAC name of 2-(2-methylpropylsulfanyl)-3-naphthalen-2-ylquinazolin-4-one (CID 10570525) is 2-(2-methylpropylsulfanyl)-3-naphthalen-2-ylquinazolin-4-one.
What is the SMILES notation for 2-(2-methylpropylsulfanyl)-3-naphthalen-2-ylquinazolin-4-one?
The canonical SMILES for 2-(2-methylpropylsulfanyl)-3-naphthalen-2-ylquinazolin-4-one is CC(C)CSc1nc2ccccc2c(=O)n1-c1ccc2ccccc2c1.
What is the InChIKey of 2-(2-methylpropylsulfanyl)-3-naphthalen-2-ylquinazolin-4-one?
The InChIKey is BQDTXHSSJDWWJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2OS/c1-15(2)14-26-22-23-20-10-6-5-9-19(20)21(25)24(22)18-12-11-16-7-3-4-8-17(16)13-18/h3-13,15H,14H2,1-2H3.
What are the key properties of 2-(2-methylpropylsulfanyl)-3-naphthalen-2-ylquinazolin-4-one?
2-(2-methylpropylsulfanyl)-3-naphthalen-2-ylquinazolin-4-one has a molecular weight of 360.48 g/mol, XLogP of 5.29, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropylsulfanyl)-3-naphthalen-2-ylquinazolin-4-one is sourced from PubChem (CID 10570525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).