4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-7-methoxy-1,3-dihydroquinoxalin-2-one

C16H16N4O2 — CID 164610962

IUPAC4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-7-methoxy-1,3-dihydroquinoxalin-2-one
SMILESCOc1ccc2c(c1)NC(=O)CN2c1ncnc2c1CCC2
InChIInChI=1S/C16H16N4O2/c1-22-10-5-6-14-13(7-10)19-15(21)8-20(14)16-11-3-2-4-12(11)17-9-18-16/h5-7,9H,2-4,8H2,1H3,(H,19,21)
InChIKeyLTHGZSCBULMUMW-UHFFFAOYSA-N
MW296.33 g/mol
LogP2.06
Rot. Bonds2

About 4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-7-methoxy-1,3-dihydroquinoxalin-2-one

4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-7-methoxy-1,3-dihydroquinoxalin-2-one (PubChem CID 164610962) has the molecular formula C16H16N4O2 and a molecular weight of 296.33 g/mol. Its IUPAC name is 4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-7-methoxy-1,3-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-7-methoxy-1,3-dihydroquinoxalin-2-one
PubChem CID164610962
Molecular FormulaC16H16N4O2
Molecular Weight296.33 g/mol
Exact Mass296.13
IUPAC Name4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-7-methoxy-1,3-dihydroquinoxalin-2-one
SMILESCOc1ccc2c(c1)NC(=O)CN2c1ncnc2c1CCC2
InChIInChI=1S/C16H16N4O2/c1-22-10-5-6-14-13(7-10)19-15(21)8-20(14)16-11-3-2-4-12(11)17-9-18-16/h5-7,9H,2-4,8H2,1H3,(H,19,21)
InChIKeyLTHGZSCBULMUMW-UHFFFAOYSA-N
XLogP2.06
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-7-methoxy-1,3-dihydroquinoxalin-2-one?
The IUPAC name of 4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-7-methoxy-1,3-dihydroquinoxalin-2-one (CID 164610962) is 4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-7-methoxy-1,3-dihydroquinoxalin-2-one.
What is the SMILES notation for 4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-7-methoxy-1,3-dihydroquinoxalin-2-one?
The canonical SMILES for 4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-7-methoxy-1,3-dihydroquinoxalin-2-one is COc1ccc2c(c1)NC(=O)CN2c1ncnc2c1CCC2.
What is the InChIKey of 4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-7-methoxy-1,3-dihydroquinoxalin-2-one?
The InChIKey is LTHGZSCBULMUMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O2/c1-22-10-5-6-14-13(7-10)19-15(21)8-20(14)16-11-3-2-4-12(11)17-9-18-16/h5-7,9H,2-4,8H2,1H3,(H,19,21).
What are the key properties of 4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-7-methoxy-1,3-dihydroquinoxalin-2-one?
4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-7-methoxy-1,3-dihydroquinoxalin-2-one has a molecular weight of 296.33 g/mol, XLogP of 2.06, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-7-methoxy-1,3-dihydroquinoxalin-2-one is sourced from PubChem (CID 164610962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).