2-[3-(6-methyl-2-pyridinyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide

C17H16N4O2S — CID 17404029

IUPAC2-[3-(6-methyl-2-pyridinyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide
SMILESCc1cccc(-n2c(SC(C)C(N)=O)nc3ccccc3c2=O)n1
InChIInChI=1S/C17H16N4O2S/c1-10-6-5-9-14(19-10)21-16(23)12-7-3-4-8-13(12)20-17(21)24-11(2)15(18)22/h3-9,11H,1-2H3,(H2,18,22)
InChIKeyJGCJCXLYOXPZEO-UHFFFAOYSA-N
MW340.41 g/mol
LogP2.06
Rot. Bonds4

About 2-[3-(6-methyl-2-pyridinyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide

2-[3-(6-methyl-2-pyridinyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide (PubChem CID 17404029) has the molecular formula C17H16N4O2S and a molecular weight of 340.41 g/mol. Its IUPAC name is 2-[3-(6-methyl-2-pyridinyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide.

Molecular Properties

Compound Name2-[3-(6-methyl-2-pyridinyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide
PubChem CID17404029
Molecular FormulaC17H16N4O2S
Molecular Weight340.41 g/mol
Exact Mass340.10
IUPAC Name2-[3-(6-methyl-2-pyridinyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide
SMILESCc1cccc(-n2c(SC(C)C(N)=O)nc3ccccc3c2=O)n1
InChIInChI=1S/C17H16N4O2S/c1-10-6-5-9-14(19-10)21-16(23)12-7-3-4-8-13(12)20-17(21)24-11(2)15(18)22/h3-9,11H,1-2H3,(H2,18,22)
InChIKeyJGCJCXLYOXPZEO-UHFFFAOYSA-N
XLogP2.06
TPSA90.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.41
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(6-methyl-2-pyridinyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide?
The IUPAC name of 2-[3-(6-methyl-2-pyridinyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide (CID 17404029) is 2-[3-(6-methyl-2-pyridinyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide.
What is the SMILES notation for 2-[3-(6-methyl-2-pyridinyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide?
The canonical SMILES for 2-[3-(6-methyl-2-pyridinyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide is Cc1cccc(-n2c(SC(C)C(N)=O)nc3ccccc3c2=O)n1.
What is the InChIKey of 2-[3-(6-methyl-2-pyridinyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide?
The InChIKey is JGCJCXLYOXPZEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O2S/c1-10-6-5-9-14(19-10)21-16(23)12-7-3-4-8-13(12)20-17(21)24-11(2)15(18)22/h3-9,11H,1-2H3,(H2,18,22).
What are the key properties of 2-[3-(6-methyl-2-pyridinyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide?
2-[3-(6-methyl-2-pyridinyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide has a molecular weight of 340.41 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(6-methyl-2-pyridinyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide is sourced from PubChem (CID 17404029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).