2-[[2-(dimethylamino)phenyl]methylsulfanyl]-3-methyl-5,6,7,8-tetrahydroquinazolin-4-one

C18H23N3OS — CID 10359232

IUPAC2-[[2-(dimethylamino)phenyl]methylsulfanyl]-3-methyl-5,6,7,8-tetrahydroquinazolin-4-one
SMILESCN(C)c1ccccc1CSc1nc2c(c(=O)n1C)CCCC2
InChIInChI=1S/C18H23N3OS/c1-20(2)16-11-7-4-8-13(16)12-23-18-19-15-10-6-5-9-14(15)17(22)21(18)3/h4,7-8,11H,5-6,9-10,12H2,1-3H3
InChIKeyWWZLZHBMSMTDQC-UHFFFAOYSA-N
MW329.47 g/mol
LogP3.02
Rot. Bonds4

About 2-[[2-(dimethylamino)phenyl]methylsulfanyl]-3-methyl-5,6,7,8-tetrahydroquinazolin-4-one

2-[[2-(dimethylamino)phenyl]methylsulfanyl]-3-methyl-5,6,7,8-tetrahydroquinazolin-4-one (PubChem CID 10359232) has the molecular formula C18H23N3OS and a molecular weight of 329.47 g/mol. Its IUPAC name is 2-[[2-(dimethylamino)phenyl]methylsulfanyl]-3-methyl-5,6,7,8-tetrahydroquinazolin-4-one.

Molecular Properties

Compound Name2-[[2-(dimethylamino)phenyl]methylsulfanyl]-3-methyl-5,6,7,8-tetrahydroquinazolin-4-one
PubChem CID10359232
Molecular FormulaC18H23N3OS
Molecular Weight329.47 g/mol
Exact Mass329.16
IUPAC Name2-[[2-(dimethylamino)phenyl]methylsulfanyl]-3-methyl-5,6,7,8-tetrahydroquinazolin-4-one
SMILESCN(C)c1ccccc1CSc1nc2c(c(=O)n1C)CCCC2
InChIInChI=1S/C18H23N3OS/c1-20(2)16-11-7-4-8-13(16)12-23-18-19-15-10-6-5-9-14(15)17(22)21(18)3/h4,7-8,11H,5-6,9-10,12H2,1-3H3
InChIKeyWWZLZHBMSMTDQC-UHFFFAOYSA-N
XLogP3.02
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.47
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-dimethyl-2-[(3-pyridin-2-yl-5,6-dihydro-4H-cyclopenta[d]imidazol-2-yl)sulfanylmethyl]aniline
CID 10807800
N,N-dimethyl-2-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]aniline
CID 56795371
2-[(2-chlorophenyl)methylsulfanyl]-N,N-dimethyl-5,6,7,8-tetrahydroquinazolin-4-amine
CID 1488847
2-[[2-(dimethylamino)phenyl]methylsulfanyl]-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one
CID 139672435
2-[2-[(2-chlorophenyl)methylsulfanyl]-4-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl]acetamide
CID 7748764
3-methyl-2-[(2-nitrophenyl)methylsulfanyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
CID 112773808
N,N-dimethyl-2-[(1-phenylimidazol-2-yl)sulfanylmethyl]aniline
CID 10828707
3,6-dimethyl-5-[(4-methylphenyl)methyl]-2-[(2-methylphenyl)methylsulfanyl]pyrimidin-4-one
CID 7231989
N,N-dimethyl-2-[[1-(6-methyl-2-pyridinyl)imidazol-2-yl]sulfanylmethyl]aniline
CID 10663763
2-benzylsulfanyl-3-[(3,4-dichlorophenyl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one
CID 7748660
2-(2-benzylsulfanyl-4-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl)acetamide
CID 7748698
2-(1,3-benzodioxol-5-ylmethylsulfanyl)-3-methylquinazolin-4-one
CID 584789

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(dimethylamino)phenyl]methylsulfanyl]-3-methyl-5,6,7,8-tetrahydroquinazolin-4-one?
The IUPAC name of 2-[[2-(dimethylamino)phenyl]methylsulfanyl]-3-methyl-5,6,7,8-tetrahydroquinazolin-4-one (CID 10359232) is 2-[[2-(dimethylamino)phenyl]methylsulfanyl]-3-methyl-5,6,7,8-tetrahydroquinazolin-4-one.
What is the SMILES notation for 2-[[2-(dimethylamino)phenyl]methylsulfanyl]-3-methyl-5,6,7,8-tetrahydroquinazolin-4-one?
The canonical SMILES for 2-[[2-(dimethylamino)phenyl]methylsulfanyl]-3-methyl-5,6,7,8-tetrahydroquinazolin-4-one is CN(C)c1ccccc1CSc1nc2c(c(=O)n1C)CCCC2.
What is the InChIKey of 2-[[2-(dimethylamino)phenyl]methylsulfanyl]-3-methyl-5,6,7,8-tetrahydroquinazolin-4-one?
The InChIKey is WWZLZHBMSMTDQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3OS/c1-20(2)16-11-7-4-8-13(16)12-23-18-19-15-10-6-5-9-14(15)17(22)21(18)3/h4,7-8,11H,5-6,9-10,12H2,1-3H3.
What are the key properties of 2-[[2-(dimethylamino)phenyl]methylsulfanyl]-3-methyl-5,6,7,8-tetrahydroquinazolin-4-one?
2-[[2-(dimethylamino)phenyl]methylsulfanyl]-3-methyl-5,6,7,8-tetrahydroquinazolin-4-one has a molecular weight of 329.47 g/mol, XLogP of 3.02, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(dimethylamino)phenyl]methylsulfanyl]-3-methyl-5,6,7,8-tetrahydroquinazolin-4-one is sourced from PubChem (CID 10359232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).