6-(cyclohexen-1-yl)-3-ethyl-8-pyridin-3-ylpyrido[3,4-d]pyrimidin-4-one;methanol

C21H24N4O2 — CID 156743150

IUPAC6-(cyclohexen-1-yl)-3-ethyl-8-pyridin-3-ylpyrido[3,4-d]pyrimidin-4-one;methanol
SMILESCCn1cnc2c(-c3cccnc3)nc(C3=CCCCC3)cc2c1=O.CO
InChIInChI=1S/C20H20N4O.CH4O/c1-2-24-13-22-19-16(20(24)25)11-17(14-7-4-3-5-8-14)23-18(19)15-9-6-10-21-12-15;1-2/h6-7,9-13H,2-5,8H2,1H3;2H,1H3
InChIKeyXPLYBZZWQXPDCZ-UHFFFAOYSA-N
MW364.45 g/mol
LogP3.44
Rot. Bonds3

About 6-(cyclohexen-1-yl)-3-ethyl-8-pyridin-3-ylpyrido[3,4-d]pyrimidin-4-one;methanol

6-(cyclohexen-1-yl)-3-ethyl-8-pyridin-3-ylpyrido[3,4-d]pyrimidin-4-one;methanol (PubChem CID 156743150) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is 6-(cyclohexen-1-yl)-3-ethyl-8-pyridin-3-ylpyrido[3,4-d]pyrimidin-4-one;methanol.

Molecular Properties

Compound Name6-(cyclohexen-1-yl)-3-ethyl-8-pyridin-3-ylpyrido[3,4-d]pyrimidin-4-one;methanol
PubChem CID156743150
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC Name6-(cyclohexen-1-yl)-3-ethyl-8-pyridin-3-ylpyrido[3,4-d]pyrimidin-4-one;methanol
SMILESCCn1cnc2c(-c3cccnc3)nc(C3=CCCCC3)cc2c1=O.CO
InChIInChI=1S/C20H20N4O.CH4O/c1-2-24-13-22-19-16(20(24)25)11-17(14-7-4-3-5-8-14)23-18(19)15-9-6-10-21-12-15;1-2/h6-7,9-13H,2-5,8H2,1H3;2H,1H3
InChIKeyXPLYBZZWQXPDCZ-UHFFFAOYSA-N
XLogP3.44
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(cyclohexen-1-yl)-3-ethyl-8-pyridin-3-ylpyrido[3,4-d]pyrimidin-4-one;methanol?
The IUPAC name of 6-(cyclohexen-1-yl)-3-ethyl-8-pyridin-3-ylpyrido[3,4-d]pyrimidin-4-one;methanol (CID 156743150) is 6-(cyclohexen-1-yl)-3-ethyl-8-pyridin-3-ylpyrido[3,4-d]pyrimidin-4-one;methanol.
What is the SMILES notation for 6-(cyclohexen-1-yl)-3-ethyl-8-pyridin-3-ylpyrido[3,4-d]pyrimidin-4-one;methanol?
The canonical SMILES for 6-(cyclohexen-1-yl)-3-ethyl-8-pyridin-3-ylpyrido[3,4-d]pyrimidin-4-one;methanol is CCn1cnc2c(-c3cccnc3)nc(C3=CCCCC3)cc2c1=O.CO.
What is the InChIKey of 6-(cyclohexen-1-yl)-3-ethyl-8-pyridin-3-ylpyrido[3,4-d]pyrimidin-4-one;methanol?
The InChIKey is XPLYBZZWQXPDCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O.CH4O/c1-2-24-13-22-19-16(20(24)25)11-17(14-7-4-3-5-8-14)23-18(19)15-9-6-10-21-12-15;1-2/h6-7,9-13H,2-5,8H2,1H3;2H,1H3.
What are the key properties of 6-(cyclohexen-1-yl)-3-ethyl-8-pyridin-3-ylpyrido[3,4-d]pyrimidin-4-one;methanol?
6-(cyclohexen-1-yl)-3-ethyl-8-pyridin-3-ylpyrido[3,4-d]pyrimidin-4-one;methanol has a molecular weight of 364.45 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclohexen-1-yl)-3-ethyl-8-pyridin-3-ylpyrido[3,4-d]pyrimidin-4-one;methanol is sourced from PubChem (CID 156743150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).