2-methyl-3-morpholin-4-yl-9,10-dihydro-8H-pyrimido[4,5-c]isoquinoline-1,7-dione

C16H18N4O3 — CID 28503883

IUPAC2-methyl-3-morpholin-4-yl-9,10-dihydro-8H-pyrimido[4,5-c]isoquinoline-1,7-dione
SMILESCn1c(N2CCOCC2)nc2ncc3c(c2c1=O)CCCC3=O
InChIInChI=1S/C16H18N4O3/c1-19-15(22)13-10-3-2-4-12(21)11(10)9-17-14(13)18-16(19)20-5-7-23-8-6-20/h9H,2-8H2,1H3
InChIKeyNXQGFLUUXBWASB-UHFFFAOYSA-N
MW314.35 g/mol
LogP0.68
Rot. Bonds1

About 2-methyl-3-morpholin-4-yl-9,10-dihydro-8H-pyrimido[4,5-c]isoquinoline-1,7-dione

2-methyl-3-morpholin-4-yl-9,10-dihydro-8H-pyrimido[4,5-c]isoquinoline-1,7-dione (PubChem CID 28503883) has the molecular formula C16H18N4O3 and a molecular weight of 314.35 g/mol. Its IUPAC name is 2-methyl-3-morpholin-4-yl-9,10-dihydro-8H-pyrimido[4,5-c]isoquinoline-1,7-dione.

Molecular Properties

Compound Name2-methyl-3-morpholin-4-yl-9,10-dihydro-8H-pyrimido[4,5-c]isoquinoline-1,7-dione
PubChem CID28503883
Molecular FormulaC16H18N4O3
Molecular Weight314.35 g/mol
Exact Mass314.14
IUPAC Name2-methyl-3-morpholin-4-yl-9,10-dihydro-8H-pyrimido[4,5-c]isoquinoline-1,7-dione
SMILESCn1c(N2CCOCC2)nc2ncc3c(c2c1=O)CCCC3=O
InChIInChI=1S/C16H18N4O3/c1-19-15(22)13-10-3-2-4-12(21)11(10)9-17-14(13)18-16(19)20-5-7-23-8-6-20/h9H,2-8H2,1H3
InChIKeyNXQGFLUUXBWASB-UHFFFAOYSA-N
XLogP0.68
TPSA77.32 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.35
LogP ≤ 50.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-morpholin-4-yl-9,10-dihydro-8H-pyrimido[4,5-c]isoquinoline-1,7-dione?
The IUPAC name of 2-methyl-3-morpholin-4-yl-9,10-dihydro-8H-pyrimido[4,5-c]isoquinoline-1,7-dione (CID 28503883) is 2-methyl-3-morpholin-4-yl-9,10-dihydro-8H-pyrimido[4,5-c]isoquinoline-1,7-dione.
What is the SMILES notation for 2-methyl-3-morpholin-4-yl-9,10-dihydro-8H-pyrimido[4,5-c]isoquinoline-1,7-dione?
The canonical SMILES for 2-methyl-3-morpholin-4-yl-9,10-dihydro-8H-pyrimido[4,5-c]isoquinoline-1,7-dione is Cn1c(N2CCOCC2)nc2ncc3c(c2c1=O)CCCC3=O.
What is the InChIKey of 2-methyl-3-morpholin-4-yl-9,10-dihydro-8H-pyrimido[4,5-c]isoquinoline-1,7-dione?
The InChIKey is NXQGFLUUXBWASB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O3/c1-19-15(22)13-10-3-2-4-12(21)11(10)9-17-14(13)18-16(19)20-5-7-23-8-6-20/h9H,2-8H2,1H3.
What are the key properties of 2-methyl-3-morpholin-4-yl-9,10-dihydro-8H-pyrimido[4,5-c]isoquinoline-1,7-dione?
2-methyl-3-morpholin-4-yl-9,10-dihydro-8H-pyrimido[4,5-c]isoquinoline-1,7-dione has a molecular weight of 314.35 g/mol, XLogP of 0.68, 1 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-morpholin-4-yl-9,10-dihydro-8H-pyrimido[4,5-c]isoquinoline-1,7-dione is sourced from PubChem (CID 28503883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).