9,10-dimethoxy-2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one

C23H32N4O3 — CID 2045371

IUPAC9,10-dimethoxy-2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one
SMILESCOc1cc2c(cc1OC)-c1cc(NC3CC(C)(C)NC(C)(C)C3)nc(=O)n1CC2
InChIInChI=1S/C23H32N4O3/c1-22(2)12-15(13-23(3,4)26-22)24-20-11-17-16-10-19(30-6)18(29-5)9-14(16)7-8-27(17)21(28)25-20/h9-11,15,26H,7-8,12-13H2,1-6H3,(H,24,25,28)
InChIKeyMTUURDUNQJTNNA-UHFFFAOYSA-N
MW412.53 g/mol
LogP3.20
Rot. Bonds4

About 9,10-dimethoxy-2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one

9,10-dimethoxy-2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one (PubChem CID 2045371) has the molecular formula C23H32N4O3 and a molecular weight of 412.53 g/mol. Its IUPAC name is 9,10-dimethoxy-2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one.

Molecular Properties

Compound Name9,10-dimethoxy-2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one
PubChem CID2045371
Molecular FormulaC23H32N4O3
Molecular Weight412.53 g/mol
Exact Mass412.25
IUPAC Name9,10-dimethoxy-2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one
SMILESCOc1cc2c(cc1OC)-c1cc(NC3CC(C)(C)NC(C)(C)C3)nc(=O)n1CC2
InChIInChI=1S/C23H32N4O3/c1-22(2)12-15(13-23(3,4)26-22)24-20-11-17-16-10-19(30-6)18(29-5)9-14(16)7-8-27(17)21(28)25-20/h9-11,15,26H,7-8,12-13H2,1-6H3,(H,24,25,28)
InChIKeyMTUURDUNQJTNNA-UHFFFAOYSA-N
XLogP3.20
TPSA77.41 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.53
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 9,10-dimethoxy-2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one with MolForge

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Related Compounds

2-(4-bromoanilino)-9,10-dimethoxy-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one
CID 2044491
2-(4-chloroanilino)-9,10-dimethoxy-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one
CID 2041674
2-[(4-fluorophenyl)methylamino]-9,10-dimethoxy-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one
CID 2031880
9,10-dimethoxy-2-(prop-2-enylamino)-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one
CID 2020559
9,10-dimethoxy-2-(3,4,5-trimethoxyanilino)-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one;hydrochloride
CID 54583747
9,10-dimethoxy-2-(pyridin-2-ylmethylamino)-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one
CID 665278
9,10-dimethoxy-2-(2-methyl-6-propan-2-ylanilino)-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one
CID 13408606
9,10-dimethoxy-2-(2-methyl-6-propan-2-ylanilino)-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one;hydrochloride
CID 13408607
2-[2-(cyclohexen-1-yl)ethylamino]-9,10-dimethoxy-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one
CID 3964814
2-chloro-9-ethoxy-10-methoxy-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one
CID 146299674
2-(2,3-dimethylphenoxy)-9,10-dimethoxy-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one
CID 20896181
9,10-dimethoxy-2-(2-pyridin-2-yloxyethoxy)-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one
CID 162642975

Frequently Asked Questions

What is the IUPAC name of 9,10-dimethoxy-2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one?
The IUPAC name of 9,10-dimethoxy-2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one (CID 2045371) is 9,10-dimethoxy-2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one.
What is the SMILES notation for 9,10-dimethoxy-2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one?
The canonical SMILES for 9,10-dimethoxy-2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one is COc1cc2c(cc1OC)-c1cc(NC3CC(C)(C)NC(C)(C)C3)nc(=O)n1CC2.
What is the InChIKey of 9,10-dimethoxy-2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one?
The InChIKey is MTUURDUNQJTNNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4O3/c1-22(2)12-15(13-23(3,4)26-22)24-20-11-17-16-10-19(30-6)18(29-5)9-14(16)7-8-27(17)21(28)25-20/h9-11,15,26H,7-8,12-13H2,1-6H3,(H,24,25,28).
What are the key properties of 9,10-dimethoxy-2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one?
9,10-dimethoxy-2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one has a molecular weight of 412.53 g/mol, XLogP of 3.20, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9,10-dimethoxy-2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one is sourced from PubChem (CID 2045371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).