8-methyl-3-(methylamino)-5H-pyrimido[4,5-c]isoquinolin-6-one

C13H12N4O — CID 147940378

IUPAC8-methyl-3-(methylamino)-5H-pyrimido[4,5-c]isoquinolin-6-one
SMILESCNc1ncc2c(n1)[nH]c(=O)c1cc(C)ccc12
InChIInChI=1S/C13H12N4O/c1-7-3-4-8-9(5-7)12(18)16-11-10(8)6-15-13(14-2)17-11/h3-6H,1-2H3,(H2,14,15,16,17,18)
InChIKeyILQADTBMACSHCB-UHFFFAOYSA-N
MW240.27 g/mol
LogP1.82
Rot. Bonds1

About 8-methyl-3-(methylamino)-5H-pyrimido[4,5-c]isoquinolin-6-one

8-methyl-3-(methylamino)-5H-pyrimido[4,5-c]isoquinolin-6-one (PubChem CID 147940378) has the molecular formula C13H12N4O and a molecular weight of 240.27 g/mol. Its IUPAC name is 8-methyl-3-(methylamino)-5H-pyrimido[4,5-c]isoquinolin-6-one.

Molecular Properties

Compound Name8-methyl-3-(methylamino)-5H-pyrimido[4,5-c]isoquinolin-6-one
PubChem CID147940378
Molecular FormulaC13H12N4O
Molecular Weight240.27 g/mol
Exact Mass240.10
IUPAC Name8-methyl-3-(methylamino)-5H-pyrimido[4,5-c]isoquinolin-6-one
SMILESCNc1ncc2c(n1)[nH]c(=O)c1cc(C)ccc12
InChIInChI=1S/C13H12N4O/c1-7-3-4-8-9(5-7)12(18)16-11-10(8)6-15-13(14-2)17-11/h3-6H,1-2H3,(H2,14,15,16,17,18)
InChIKeyILQADTBMACSHCB-UHFFFAOYSA-N
XLogP1.82
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

2-chloro-8-methyl-5H-benzo[c][1,8]naphthyridin-6-one
CID 71111092
8-methyl-5H-phenanthridin-6-one
CID 102200304
8-methyl-3-(methylamino)isochromeno[4,3-c]pyridin-6-one
CID 167663656
N,7-dimethylisoquinolin-1-amine
CID 59108894
ethane;3-hydrazinyl-6-methyl-2H-isoquinolin-1-one
CID 142195634
3-methyl-5H-phenanthridin-6-one
CID 59877971
7-methyl-1,6-dihydropyrimido[4,5-d]pyrimidine-2,5-dione
CID 163365412
7-methyl-3H-[1,3]oxazolo[4,5-c]quinolin-2-one
CID 22765637
4-hydroxy-7-methyl-1-oxo-2H-isoquinoline-3-carboxylic acid
CID 54703481
5-chloro-4-(2-fluoro-5-methylphenoxy)-N-methylpyrimidin-2-amine
CID 80877850
5-chloro-4-N-(2-fluoro-5-methylphenyl)-2-N-methylpyrimidine-2,4-diamine
CID 80755789
ethane;7-methyl-2-propan-2-yl-3H-quinazolin-4-one
CID 165134582

Frequently Asked Questions

What is the IUPAC name of 8-methyl-3-(methylamino)-5H-pyrimido[4,5-c]isoquinolin-6-one?
The IUPAC name of 8-methyl-3-(methylamino)-5H-pyrimido[4,5-c]isoquinolin-6-one (CID 147940378) is 8-methyl-3-(methylamino)-5H-pyrimido[4,5-c]isoquinolin-6-one.
What is the SMILES notation for 8-methyl-3-(methylamino)-5H-pyrimido[4,5-c]isoquinolin-6-one?
The canonical SMILES for 8-methyl-3-(methylamino)-5H-pyrimido[4,5-c]isoquinolin-6-one is CNc1ncc2c(n1)[nH]c(=O)c1cc(C)ccc12.
What is the InChIKey of 8-methyl-3-(methylamino)-5H-pyrimido[4,5-c]isoquinolin-6-one?
The InChIKey is ILQADTBMACSHCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O/c1-7-3-4-8-9(5-7)12(18)16-11-10(8)6-15-13(14-2)17-11/h3-6H,1-2H3,(H2,14,15,16,17,18).
What are the key properties of 8-methyl-3-(methylamino)-5H-pyrimido[4,5-c]isoquinolin-6-one?
8-methyl-3-(methylamino)-5H-pyrimido[4,5-c]isoquinolin-6-one has a molecular weight of 240.27 g/mol, XLogP of 1.82, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-3-(methylamino)-5H-pyrimido[4,5-c]isoquinolin-6-one is sourced from PubChem (CID 147940378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).