2-(3-amino-4-oxoquinazolin-2-yl)sulfanyl-N-(3,4-dimethylphenyl)acetamide

C18H18N4O2S — CID 53489643

IUPAC2-(3-amino-4-oxoquinazolin-2-yl)sulfanyl-N-(3,4-dimethylphenyl)acetamide
SMILESCc1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2N)cc1C
InChIInChI=1S/C18H18N4O2S/c1-11-7-8-13(9-12(11)2)20-16(23)10-25-18-21-15-6-4-3-5-14(15)17(24)22(18)19/h3-9H,10,19H2,1-2H3,(H,20,23)
InChIKeyZFBGNQJEOWSIJM-UHFFFAOYSA-N
MW354.44 g/mol
LogP2.46
Rot. Bonds4

About 2-(3-amino-4-oxoquinazolin-2-yl)sulfanyl-N-(3,4-dimethylphenyl)acetamide

2-(3-amino-4-oxoquinazolin-2-yl)sulfanyl-N-(3,4-dimethylphenyl)acetamide (PubChem CID 53489643) has the molecular formula C18H18N4O2S and a molecular weight of 354.44 g/mol. Its IUPAC name is 2-(3-amino-4-oxoquinazolin-2-yl)sulfanyl-N-(3,4-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-(3-amino-4-oxoquinazolin-2-yl)sulfanyl-N-(3,4-dimethylphenyl)acetamide
PubChem CID53489643
Molecular FormulaC18H18N4O2S
Molecular Weight354.44 g/mol
Exact Mass354.12
IUPAC Name2-(3-amino-4-oxoquinazolin-2-yl)sulfanyl-N-(3,4-dimethylphenyl)acetamide
SMILESCc1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2N)cc1C
InChIInChI=1S/C18H18N4O2S/c1-11-7-8-13(9-12(11)2)20-16(23)10-25-18-21-15-6-4-3-5-14(15)17(24)22(18)19/h3-9H,10,19H2,1-2H3,(H,20,23)
InChIKeyZFBGNQJEOWSIJM-UHFFFAOYSA-N
XLogP2.46
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.44
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3-amino-4-oxoquinazolin-2-yl)sulfanyl-N-(4-propan-2-ylphenyl)acetamide
CID 53366366
2-(3-amino-4-oxoquinazolin-2-yl)sulfanyl-N-(3-methylsulfanylphenyl)acetamide
CID 53366375
4-[[2-(3-amino-4-oxoquinazolin-2-yl)sulfanylacetyl]amino]-N-methylbenzamide
CID 25410473
N-(3,4-dimethylphenyl)-2-[3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 1143671
2-(3-amino-4-oxoquinazolin-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 53489619
N-(3,4-dimethylphenyl)-2-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 23964945
2-[3-(3,4-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(4-iodophenyl)acetamide
CID 16532001
2-[3-(3,4-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(9,10-dioxoanthracen-2-yl)acetamide
CID 16532042
N-(3,4-dimethylphenyl)-2-[4-oxo-3-[[(2R)-oxolan-2-yl]methyl]quinazolin-2-yl]sulfanylacetamide
CID 7031260
2-[3-(3,4-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(3-methylphenyl)acetamide
CID 16531980
N-(3,4-dimethoxyphenyl)-2-[3-(3,4-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 2468053
2-[3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxoquinazolin-2-yl]sulfanyl-N-(3,4-dimethylphenyl)acetamide
CID 4283443

Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-4-oxoquinazolin-2-yl)sulfanyl-N-(3,4-dimethylphenyl)acetamide?
The IUPAC name of 2-(3-amino-4-oxoquinazolin-2-yl)sulfanyl-N-(3,4-dimethylphenyl)acetamide (CID 53489643) is 2-(3-amino-4-oxoquinazolin-2-yl)sulfanyl-N-(3,4-dimethylphenyl)acetamide.
What is the SMILES notation for 2-(3-amino-4-oxoquinazolin-2-yl)sulfanyl-N-(3,4-dimethylphenyl)acetamide?
The canonical SMILES for 2-(3-amino-4-oxoquinazolin-2-yl)sulfanyl-N-(3,4-dimethylphenyl)acetamide is Cc1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2N)cc1C.
What is the InChIKey of 2-(3-amino-4-oxoquinazolin-2-yl)sulfanyl-N-(3,4-dimethylphenyl)acetamide?
The InChIKey is ZFBGNQJEOWSIJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2S/c1-11-7-8-13(9-12(11)2)20-16(23)10-25-18-21-15-6-4-3-5-14(15)17(24)22(18)19/h3-9H,10,19H2,1-2H3,(H,20,23).
What are the key properties of 2-(3-amino-4-oxoquinazolin-2-yl)sulfanyl-N-(3,4-dimethylphenyl)acetamide?
2-(3-amino-4-oxoquinazolin-2-yl)sulfanyl-N-(3,4-dimethylphenyl)acetamide has a molecular weight of 354.44 g/mol, XLogP of 2.46, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-4-oxoquinazolin-2-yl)sulfanyl-N-(3,4-dimethylphenyl)acetamide is sourced from PubChem (CID 53489643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).