3-[2-(dimethylamino)ethyl]-2-[(2-methylphenyl)methylsulfanyl]quinazolin-4-one

C20H23N3OS — CID 51365347

IUPAC3-[2-(dimethylamino)ethyl]-2-[(2-methylphenyl)methylsulfanyl]quinazolin-4-one
SMILESCc1ccccc1CSc1nc2ccccc2c(=O)n1CCN(C)C
InChIInChI=1S/C20H23N3OS/c1-15-8-4-5-9-16(15)14-25-20-21-18-11-7-6-10-17(18)19(24)23(20)13-12-22(2)3/h4-11H,12-14H2,1-3H3
InChIKeyPFXCYQZDRYJAEX-UHFFFAOYSA-N
MW353.49 g/mol
LogP3.56
Rot. Bonds6

About 3-[2-(dimethylamino)ethyl]-2-[(2-methylphenyl)methylsulfanyl]quinazolin-4-one

3-[2-(dimethylamino)ethyl]-2-[(2-methylphenyl)methylsulfanyl]quinazolin-4-one (PubChem CID 51365347) has the molecular formula C20H23N3OS and a molecular weight of 353.49 g/mol. Its IUPAC name is 3-[2-(dimethylamino)ethyl]-2-[(2-methylphenyl)methylsulfanyl]quinazolin-4-one.

Molecular Properties

Compound Name3-[2-(dimethylamino)ethyl]-2-[(2-methylphenyl)methylsulfanyl]quinazolin-4-one
PubChem CID51365347
Molecular FormulaC20H23N3OS
Molecular Weight353.49 g/mol
Exact Mass353.16
IUPAC Name3-[2-(dimethylamino)ethyl]-2-[(2-methylphenyl)methylsulfanyl]quinazolin-4-one
SMILESCc1ccccc1CSc1nc2ccccc2c(=O)n1CCN(C)C
InChIInChI=1S/C20H23N3OS/c1-15-8-4-5-9-16(15)14-25-20-21-18-11-7-6-10-17(18)19(24)23(20)13-12-22(2)3/h4-11H,12-14H2,1-3H3
InChIKeyPFXCYQZDRYJAEX-UHFFFAOYSA-N
XLogP3.56
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.49
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3,5-difluorophenyl)methylsulfanyl]-3-[2-(dimethylamino)ethyl]quinazolin-4-one
CID 51365359
2-[(2-methylphenyl)methylsulfanyl]-3-(3-propan-2-yloxypropyl)quinazolin-4-one
CID 51365568
2-[(2,5-dimethylphenyl)methylsulfanyl]-3-pentylquinazolin-4-one
CID 51365508
3-ethyl-2-(naphthalen-1-ylmethylsulfanyl)quinazolin-4-one
CID 977444
3-[3-(dimethylamino)propyl]-2-[2-(2,4-dimethylphenyl)-2-oxoethyl]sulfanylquinazolin-4-one
CID 2113560
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-3-[2-[di(propan-2-yl)amino]ethyl]quinazolin-4-one
CID 30104487
2-[(2,4-difluorophenyl)methylsulfanyl]-3-propylquinazolin-4-one
CID 51365343
methyl 3-[2-[(2-methoxyphenyl)methylsulfanyl]-4-oxoquinazolin-3-yl]propanoate
CID 9066377
3-(2-methoxyethyl)-2-[(2-nitrophenyl)methylsulfanyl]quinazolin-4-one
CID 9360367
2-[3-[3-(dimethylamino)propyl]-4-oxoquinazolin-2-yl]sulfanyl-N-(2,4-dimethylphenyl)acetamide
CID 7582889
3-(3-hydroxypropyl)-2-[(8-methyl-4-oxo-3H-quinazolin-2-yl)methylsulfanyl]quinazolin-4-one
CID 135992436
2-[3-[3-(dimethylamino)propyl]-4-oxoquinazolin-2-yl]sulfanyl-N-(3,5-dimethylphenyl)acetamide
CID 7582860

Frequently Asked Questions

What is the IUPAC name of 3-[2-(dimethylamino)ethyl]-2-[(2-methylphenyl)methylsulfanyl]quinazolin-4-one?
The IUPAC name of 3-[2-(dimethylamino)ethyl]-2-[(2-methylphenyl)methylsulfanyl]quinazolin-4-one (CID 51365347) is 3-[2-(dimethylamino)ethyl]-2-[(2-methylphenyl)methylsulfanyl]quinazolin-4-one.
What is the SMILES notation for 3-[2-(dimethylamino)ethyl]-2-[(2-methylphenyl)methylsulfanyl]quinazolin-4-one?
The canonical SMILES for 3-[2-(dimethylamino)ethyl]-2-[(2-methylphenyl)methylsulfanyl]quinazolin-4-one is Cc1ccccc1CSc1nc2ccccc2c(=O)n1CCN(C)C.
What is the InChIKey of 3-[2-(dimethylamino)ethyl]-2-[(2-methylphenyl)methylsulfanyl]quinazolin-4-one?
The InChIKey is PFXCYQZDRYJAEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3OS/c1-15-8-4-5-9-16(15)14-25-20-21-18-11-7-6-10-17(18)19(24)23(20)13-12-22(2)3/h4-11H,12-14H2,1-3H3.
What are the key properties of 3-[2-(dimethylamino)ethyl]-2-[(2-methylphenyl)methylsulfanyl]quinazolin-4-one?
3-[2-(dimethylamino)ethyl]-2-[(2-methylphenyl)methylsulfanyl]quinazolin-4-one has a molecular weight of 353.49 g/mol, XLogP of 3.56, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(dimethylamino)ethyl]-2-[(2-methylphenyl)methylsulfanyl]quinazolin-4-one is sourced from PubChem (CID 51365347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).