2-[3-(3-methyl-2-pyridinyl)-4-oxoquinazolin-2-yl]sulfanylacetamide

C16H14N4O2S — CID 17401880

IUPAC2-[3-(3-methyl-2-pyridinyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
SMILESCc1cccnc1-n1c(SCC(N)=O)nc2ccccc2c1=O
InChIInChI=1S/C16H14N4O2S/c1-10-5-4-8-18-14(10)20-15(22)11-6-2-3-7-12(11)19-16(20)23-9-13(17)21/h2-8H,9H2,1H3,(H2,17,21)
InChIKeyXMSSPNHWQPBBPM-UHFFFAOYSA-N
MW326.38 g/mol
LogP1.67
Rot. Bonds4

About 2-[3-(3-methyl-2-pyridinyl)-4-oxoquinazolin-2-yl]sulfanylacetamide

2-[3-(3-methyl-2-pyridinyl)-4-oxoquinazolin-2-yl]sulfanylacetamide (PubChem CID 17401880) has the molecular formula C16H14N4O2S and a molecular weight of 326.38 g/mol. Its IUPAC name is 2-[3-(3-methyl-2-pyridinyl)-4-oxoquinazolin-2-yl]sulfanylacetamide.

Molecular Properties

Compound Name2-[3-(3-methyl-2-pyridinyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
PubChem CID17401880
Molecular FormulaC16H14N4O2S
Molecular Weight326.38 g/mol
Exact Mass326.08
IUPAC Name2-[3-(3-methyl-2-pyridinyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
SMILESCc1cccnc1-n1c(SCC(N)=O)nc2ccccc2c1=O
InChIInChI=1S/C16H14N4O2S/c1-10-5-4-8-18-14(10)20-15(22)11-6-2-3-7-12(11)19-16(20)23-9-13(17)21/h2-8H,9H2,1H3,(H2,17,21)
InChIKeyXMSSPNHWQPBBPM-UHFFFAOYSA-N
XLogP1.67
TPSA90.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.38
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylacetamide
CID 680931
2-[3-(2-methoxy-5-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 2609797
2-[3-(2,6-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N,N-dimethylacetamide
CID 8524705
2-[3-(9-ethylcarbazol-3-yl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 30436234
2-(4-oxo-3-propan-2-yloxyquinazolin-2-yl)sulfanylacetamide
CID 938997
2-[3-(3-chloro-4-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 2680991
2-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetic acid
CID 1071935
2-(3-hexyl-4-oxoquinazolin-2-yl)sulfanylacetamide
CID 2595117
2-[[2-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]amino]acetamide
CID 9491410
3-(4-methylphenyl)-2-(2-oxopropylsulfanyl)quinazolin-4-one
CID 2084795
N'-acetyl-2-[3-(2-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetohydrazide
CID 8873626
3-(2-methylphenyl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylquinazolin-4-one
CID 2588505

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-methyl-2-pyridinyl)-4-oxoquinazolin-2-yl]sulfanylacetamide?
The IUPAC name of 2-[3-(3-methyl-2-pyridinyl)-4-oxoquinazolin-2-yl]sulfanylacetamide (CID 17401880) is 2-[3-(3-methyl-2-pyridinyl)-4-oxoquinazolin-2-yl]sulfanylacetamide.
What is the SMILES notation for 2-[3-(3-methyl-2-pyridinyl)-4-oxoquinazolin-2-yl]sulfanylacetamide?
The canonical SMILES for 2-[3-(3-methyl-2-pyridinyl)-4-oxoquinazolin-2-yl]sulfanylacetamide is Cc1cccnc1-n1c(SCC(N)=O)nc2ccccc2c1=O.
What is the InChIKey of 2-[3-(3-methyl-2-pyridinyl)-4-oxoquinazolin-2-yl]sulfanylacetamide?
The InChIKey is XMSSPNHWQPBBPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O2S/c1-10-5-4-8-18-14(10)20-15(22)11-6-2-3-7-12(11)19-16(20)23-9-13(17)21/h2-8H,9H2,1H3,(H2,17,21).
What are the key properties of 2-[3-(3-methyl-2-pyridinyl)-4-oxoquinazolin-2-yl]sulfanylacetamide?
2-[3-(3-methyl-2-pyridinyl)-4-oxoquinazolin-2-yl]sulfanylacetamide has a molecular weight of 326.38 g/mol, XLogP of 1.67, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-methyl-2-pyridinyl)-4-oxoquinazolin-2-yl]sulfanylacetamide is sourced from PubChem (CID 17401880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).