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

C16H18N4O3 — CID 135646723

IUPAC9-methyl-3-morpholin-4-yl-2,8,9,10-tetrahydropyrimido[4,5-c]isoquinoline-1,7-dione
SMILESCC1CC(=O)c2cnc3nc(N4CCOCC4)[nH]c(=O)c3c2C1
InChIInChI=1S/C16H18N4O3/c1-9-6-10-11(12(21)7-9)8-17-14-13(10)15(22)19-16(18-14)20-2-4-23-5-3-20/h8-9H,2-7H2,1H3,(H,17,18,19,22)
InChIKeyHFGCSMGPTXKKFX-UHFFFAOYSA-N
MW314.35 g/mol
LogP0.92
Rot. Bonds1

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

9-methyl-3-morpholin-4-yl-2,8,9,10-tetrahydropyrimido[4,5-c]isoquinoline-1,7-dione (PubChem CID 135646723) has the molecular formula C16H18N4O3 and a molecular weight of 314.35 g/mol. Its IUPAC name is 9-methyl-3-morpholin-4-yl-2,8,9,10-tetrahydropyrimido[4,5-c]isoquinoline-1,7-dione.

Molecular Properties

Compound Name9-methyl-3-morpholin-4-yl-2,8,9,10-tetrahydropyrimido[4,5-c]isoquinoline-1,7-dione
PubChem CID135646723
Molecular FormulaC16H18N4O3
Molecular Weight314.35 g/mol
Exact Mass314.14
IUPAC Name9-methyl-3-morpholin-4-yl-2,8,9,10-tetrahydropyrimido[4,5-c]isoquinoline-1,7-dione
SMILESCC1CC(=O)c2cnc3nc(N4CCOCC4)[nH]c(=O)c3c2C1
InChIInChI=1S/C16H18N4O3/c1-9-6-10-11(12(21)7-9)8-17-14-13(10)15(22)19-16(18-14)20-2-4-23-5-3-20/h8-9H,2-7H2,1H3,(H,17,18,19,22)
InChIKeyHFGCSMGPTXKKFX-UHFFFAOYSA-N
XLogP0.92
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.35
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 9-methyl-3-morpholin-4-yl-2,8,9,10-tetrahydropyrimido[4,5-c]isoquinoline-1,7-dione with MolForge

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Launch Full Analysis

Related Compounds

(9R)-9-(4-chlorophenyl)-3-morpholin-4-yl-2,8,9,10-tetrahydropyrimido[4,5-c]isoquinoline-1,7-dione
CID 135904365
(9S)-9-[(E)-2-phenylethenyl]-3-piperidin-1-yl-2,8,9,10-tetrahydropyrimido[4,5-c]isoquinoline-1,7-dione
CID 135928164
ethyl 1-[(9S)-9-(2-hydroxyphenyl)-1,7-dioxo-2,8,9,10-tetrahydropyrimido[4,5-c]isoquinolin-3-yl]piperidine-4-carboxylate
CID 136827887
(9R)-9-(furan-2-yl)-3-(2-morpholin-4-ylethylamino)-2,8,9,10-tetrahydropyrimido[4,5-c]isoquinoline-1,7-dione
CID 136896792
5-(1,3-benzodioxol-5-yl)-2-morpholin-4-yl-3H-pyrido[2,3-d]pyrimidin-4-one
CID 135645683
2-methyl-3-morpholin-4-yl-9,10-dihydro-8H-pyrimido[4,5-c]isoquinoline-1,7-dione
CID 28503883
[4-(2-morpholin-4-yl-4-oxo-3H-pyrido[2,3-d]pyrimidin-5-yl)phenyl] benzoate
CID 135894972
7-methyl-6-(4-methylphenyl)-2-morpholin-4-yl-5-sulfanylidene-3H-pyrimido[4,5-d]pyrimidin-4-one
CID 135994312
5-(3-ethoxyphenyl)-2-morpholin-4-yl-3,7,8,9-tetrahydropyrimido[4,5-b]quinoline-4,6-dione
CID 135659187
2-morpholin-4-yl-3H-thieno[2,3-d]pyrimidin-4-one
CID 12620074
5-(2-ethoxyphenyl)-2-(4-methylpiperidin-1-yl)-3H-pyrido[2,3-d]pyrimidin-4-one
CID 135904358
[4-[2-(4-methylpiperidin-1-yl)-4-oxo-3H-pyrido[2,3-d]pyrimidin-5-yl]phenyl] acetate
CID 135904353

Frequently Asked Questions

What is the IUPAC name of 9-methyl-3-morpholin-4-yl-2,8,9,10-tetrahydropyrimido[4,5-c]isoquinoline-1,7-dione?
The IUPAC name of 9-methyl-3-morpholin-4-yl-2,8,9,10-tetrahydropyrimido[4,5-c]isoquinoline-1,7-dione (CID 135646723) is 9-methyl-3-morpholin-4-yl-2,8,9,10-tetrahydropyrimido[4,5-c]isoquinoline-1,7-dione.
What is the SMILES notation for 9-methyl-3-morpholin-4-yl-2,8,9,10-tetrahydropyrimido[4,5-c]isoquinoline-1,7-dione?
The canonical SMILES for 9-methyl-3-morpholin-4-yl-2,8,9,10-tetrahydropyrimido[4,5-c]isoquinoline-1,7-dione is CC1CC(=O)c2cnc3nc(N4CCOCC4)[nH]c(=O)c3c2C1.
What is the InChIKey of 9-methyl-3-morpholin-4-yl-2,8,9,10-tetrahydropyrimido[4,5-c]isoquinoline-1,7-dione?
The InChIKey is HFGCSMGPTXKKFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O3/c1-9-6-10-11(12(21)7-9)8-17-14-13(10)15(22)19-16(18-14)20-2-4-23-5-3-20/h8-9H,2-7H2,1H3,(H,17,18,19,22).
What are the key properties of 9-methyl-3-morpholin-4-yl-2,8,9,10-tetrahydropyrimido[4,5-c]isoquinoline-1,7-dione?
9-methyl-3-morpholin-4-yl-2,8,9,10-tetrahydropyrimido[4,5-c]isoquinoline-1,7-dione has a molecular weight of 314.35 g/mol, XLogP of 0.92, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-3-morpholin-4-yl-2,8,9,10-tetrahydropyrimido[4,5-c]isoquinoline-1,7-dione is sourced from PubChem (CID 135646723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).