2-[[2-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]amino]acetamide

C19H18N4O3S — CID 9491410

IUPAC2-[[2-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]amino]acetamide
SMILESCc1ccc(-n2c(SCC(=O)NCC(N)=O)nc3ccccc3c2=O)cc1
InChIInChI=1S/C19H18N4O3S/c1-12-6-8-13(9-7-12)23-18(26)14-4-2-3-5-15(14)22-19(23)27-11-17(25)21-10-16(20)24/h2-9H,10-11H2,1H3,(H2,20,24)(H,21,25)
InChIKeyLXEIYUMLAHKSDE-UHFFFAOYSA-N
MW382.45 g/mol
LogP1.39
Rot. Bonds6

About 2-[[2-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]amino]acetamide

2-[[2-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]amino]acetamide (PubChem CID 9491410) has the molecular formula C19H18N4O3S and a molecular weight of 382.45 g/mol. Its IUPAC name is 2-[[2-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]amino]acetamide.

Molecular Properties

Compound Name2-[[2-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]amino]acetamide
PubChem CID9491410
Molecular FormulaC19H18N4O3S
Molecular Weight382.45 g/mol
Exact Mass382.11
IUPAC Name2-[[2-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]amino]acetamide
SMILESCc1ccc(-n2c(SCC(=O)NCC(N)=O)nc3ccccc3c2=O)cc1
InChIInChI=1S/C19H18N4O3S/c1-12-6-8-13(9-7-12)23-18(26)14-4-2-3-5-15(14)22-19(23)27-11-17(25)21-10-16(20)24/h2-9H,10-11H2,1H3,(H2,20,24)(H,21,25)
InChIKeyLXEIYUMLAHKSDE-UHFFFAOYSA-N
XLogP1.39
TPSA107.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.45
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-methylphenyl)-2-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 986884
2-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-pentylacetamide
CID 9491417
N-(2,3-dimethylphenyl)-2-[[2-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]amino]acetamide
CID 16532276
2-[[2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylacetyl]amino]acetic acid
CID 3480779
2-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetic acid
CID 1071935
2-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(3-phenylpropyl)acetamide
CID 29142086
N-[(4-methoxyphenyl)methyl]-2-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 112779491
3-(4-methylphenyl)-2-(2-oxopropylsulfanyl)quinazolin-4-one
CID 2084795
methyl 2-[[2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylacetyl]amino]acetate
CID 18074079
methyl 2-[[2-[3-(3,5-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]amino]acetate
CID 7853603
N-(3-methylphenyl)-2-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 1273453
2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylacetamide
CID 680931

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]amino]acetamide?
The IUPAC name of 2-[[2-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]amino]acetamide (CID 9491410) is 2-[[2-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]amino]acetamide.
What is the SMILES notation for 2-[[2-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]amino]acetamide?
The canonical SMILES for 2-[[2-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]amino]acetamide is Cc1ccc(-n2c(SCC(=O)NCC(N)=O)nc3ccccc3c2=O)cc1.
What is the InChIKey of 2-[[2-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]amino]acetamide?
The InChIKey is LXEIYUMLAHKSDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O3S/c1-12-6-8-13(9-7-12)23-18(26)14-4-2-3-5-15(14)22-19(23)27-11-17(25)21-10-16(20)24/h2-9H,10-11H2,1H3,(H2,20,24)(H,21,25).
What are the key properties of 2-[[2-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]amino]acetamide?
2-[[2-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]amino]acetamide has a molecular weight of 382.45 g/mol, XLogP of 1.39, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]amino]acetamide is sourced from PubChem (CID 9491410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).