4-(6-chloro-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-7-methoxy-1,3-dihydroquinoxalin-2-one

C15H12ClN5O3 — CID 164628242

IUPAC4-(6-chloro-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-7-methoxy-1,3-dihydroquinoxalin-2-one
SMILESCOc1ccc2c(c1)NC(=O)CN2c1nc(Cl)nc2onc(C)c12
InChIInChI=1S/C15H12ClN5O3/c1-7-12-13(18-15(16)19-14(12)24-20-7)21-6-11(22)17-9-5-8(23-2)3-4-10(9)21/h3-5H,6H2,1-2H3,(H,17,22)
InChIKeyCRLIGYJPZASTSU-UHFFFAOYSA-N
MW345.75 g/mol
LogP2.68
Rot. Bonds2

About 4-(6-chloro-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-7-methoxy-1,3-dihydroquinoxalin-2-one

4-(6-chloro-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-7-methoxy-1,3-dihydroquinoxalin-2-one (PubChem CID 164628242) has the molecular formula C15H12ClN5O3 and a molecular weight of 345.75 g/mol. Its IUPAC name is 4-(6-chloro-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-7-methoxy-1,3-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name4-(6-chloro-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-7-methoxy-1,3-dihydroquinoxalin-2-one
PubChem CID164628242
Molecular FormulaC15H12ClN5O3
Molecular Weight345.75 g/mol
Exact Mass345.06
IUPAC Name4-(6-chloro-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-7-methoxy-1,3-dihydroquinoxalin-2-one
SMILESCOc1ccc2c(c1)NC(=O)CN2c1nc(Cl)nc2onc(C)c12
InChIInChI=1S/C15H12ClN5O3/c1-7-12-13(18-15(16)19-14(12)24-20-7)21-6-11(22)17-9-5-8(23-2)3-4-10(9)21/h3-5H,6H2,1-2H3,(H,17,22)
InChIKeyCRLIGYJPZASTSU-UHFFFAOYSA-N
XLogP2.68
TPSA93.38 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.75
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(6-chloro-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-7-methoxy-1,3-dihydroquinoxalin-2-one?
The IUPAC name of 4-(6-chloro-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-7-methoxy-1,3-dihydroquinoxalin-2-one (CID 164628242) is 4-(6-chloro-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-7-methoxy-1,3-dihydroquinoxalin-2-one.
What is the SMILES notation for 4-(6-chloro-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-7-methoxy-1,3-dihydroquinoxalin-2-one?
The canonical SMILES for 4-(6-chloro-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-7-methoxy-1,3-dihydroquinoxalin-2-one is COc1ccc2c(c1)NC(=O)CN2c1nc(Cl)nc2onc(C)c12.
What is the InChIKey of 4-(6-chloro-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-7-methoxy-1,3-dihydroquinoxalin-2-one?
The InChIKey is CRLIGYJPZASTSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN5O3/c1-7-12-13(18-15(16)19-14(12)24-20-7)21-6-11(22)17-9-5-8(23-2)3-4-10(9)21/h3-5H,6H2,1-2H3,(H,17,22).
What are the key properties of 4-(6-chloro-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-7-methoxy-1,3-dihydroquinoxalin-2-one?
4-(6-chloro-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-7-methoxy-1,3-dihydroquinoxalin-2-one has a molecular weight of 345.75 g/mol, XLogP of 2.68, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-chloro-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-7-methoxy-1,3-dihydroquinoxalin-2-one is sourced from PubChem (CID 164628242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).