3-(2-methoxyphenyl)-2-(naphthalen-1-ylmethylsulfanyl)quinazolin-4-one

C26H20N2O2S — CID 3968928

IUPAC3-(2-methoxyphenyl)-2-(naphthalen-1-ylmethylsulfanyl)quinazolin-4-one
SMILESCOc1ccccc1-n1c(SCc2cccc3ccccc23)nc2ccccc2c1=O
InChIInChI=1S/C26H20N2O2S/c1-30-24-16-7-6-15-23(24)28-25(29)21-13-4-5-14-22(21)27-26(28)31-17-19-11-8-10-18-9-2-3-12-20(18)19/h2-16H,17H2,1H3
InChIKeyNFCHDVSSGOMKGJ-UHFFFAOYSA-N
MW424.53 g/mol
LogP5.84
Rot. Bonds5

About 3-(2-methoxyphenyl)-2-(naphthalen-1-ylmethylsulfanyl)quinazolin-4-one

3-(2-methoxyphenyl)-2-(naphthalen-1-ylmethylsulfanyl)quinazolin-4-one (PubChem CID 3968928) has the molecular formula C26H20N2O2S and a molecular weight of 424.53 g/mol. Its IUPAC name is 3-(2-methoxyphenyl)-2-(naphthalen-1-ylmethylsulfanyl)quinazolin-4-one.

Molecular Properties

Compound Name3-(2-methoxyphenyl)-2-(naphthalen-1-ylmethylsulfanyl)quinazolin-4-one
PubChem CID3968928
Molecular FormulaC26H20N2O2S
Molecular Weight424.53 g/mol
Exact Mass424.12
IUPAC Name3-(2-methoxyphenyl)-2-(naphthalen-1-ylmethylsulfanyl)quinazolin-4-one
SMILESCOc1ccccc1-n1c(SCc2cccc3ccccc23)nc2ccccc2c1=O
InChIInChI=1S/C26H20N2O2S/c1-30-24-16-7-6-15-23(24)28-25(29)21-13-4-5-14-22(21)27-26(28)31-17-19-11-8-10-18-9-2-3-12-20(18)19/h2-16H,17H2,1H3
InChIKeyNFCHDVSSGOMKGJ-UHFFFAOYSA-N
XLogP5.84
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.53
LogP ≤ 55.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2,5-difluorophenyl)methylsulfanyl]-3-(2-methoxyphenyl)quinazolin-4-one
CID 51365793
2-(1,3-benzothiazol-2-ylmethylsulfanyl)-3-(2-methoxyphenyl)quinazolin-4-one
CID 4809800
3-(5-chloro-2-methylphenyl)-2-[(2-methoxyphenyl)methylsulfanyl]quinazolin-4-one
CID 42805887
3-(2,5-dimethoxyphenyl)-2-[[2-(trifluoromethyl)phenyl]methylsulfanyl]quinazolin-4-one
CID 51365500
3-(2-methoxyphenyl)-2-(2-piperidin-1-ylethylsulfanyl)quinazolin-4-one
CID 1155418
ethyl N-[2-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]carbamate
CID 7456479
3-(2-methoxyphenyl)-2-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methylsulfanyl]quinazolin-4-one
CID 43047156
3-(2-methoxyphenyl)-2-[2-oxo-2-(2,4,5-trimethylphenyl)ethyl]sulfanylquinazolin-4-one
CID 3305667
N-[(2S)-butan-2-yl]-N-[(2R)-butan-2-yl]-2-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 25481798
3-ethyl-2-(naphthalen-1-ylmethylsulfanyl)quinazolin-4-one
CID 977444
3-(2,5-dimethoxyphenyl)-2-[(2,5-dimethylphenyl)methylsulfanyl]quinazolin-4-one
CID 51365481
N-[(4-fluorophenyl)methyl]-2-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 35657298

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyphenyl)-2-(naphthalen-1-ylmethylsulfanyl)quinazolin-4-one?
The IUPAC name of 3-(2-methoxyphenyl)-2-(naphthalen-1-ylmethylsulfanyl)quinazolin-4-one (CID 3968928) is 3-(2-methoxyphenyl)-2-(naphthalen-1-ylmethylsulfanyl)quinazolin-4-one.
What is the SMILES notation for 3-(2-methoxyphenyl)-2-(naphthalen-1-ylmethylsulfanyl)quinazolin-4-one?
The canonical SMILES for 3-(2-methoxyphenyl)-2-(naphthalen-1-ylmethylsulfanyl)quinazolin-4-one is COc1ccccc1-n1c(SCc2cccc3ccccc23)nc2ccccc2c1=O.
What is the InChIKey of 3-(2-methoxyphenyl)-2-(naphthalen-1-ylmethylsulfanyl)quinazolin-4-one?
The InChIKey is NFCHDVSSGOMKGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20N2O2S/c1-30-24-16-7-6-15-23(24)28-25(29)21-13-4-5-14-22(21)27-26(28)31-17-19-11-8-10-18-9-2-3-12-20(18)19/h2-16H,17H2,1H3.
What are the key properties of 3-(2-methoxyphenyl)-2-(naphthalen-1-ylmethylsulfanyl)quinazolin-4-one?
3-(2-methoxyphenyl)-2-(naphthalen-1-ylmethylsulfanyl)quinazolin-4-one has a molecular weight of 424.53 g/mol, XLogP of 5.84, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyphenyl)-2-(naphthalen-1-ylmethylsulfanyl)quinazolin-4-one is sourced from PubChem (CID 3968928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).