2-chloro-9-ethoxy-10-methoxy-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one

C15H15ClN2O3 — CID 146299674

IUPAC2-chloro-9-ethoxy-10-methoxy-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one
SMILESCCOc1cc2c(cc1OC)-c1cc(Cl)nc(=O)n1CC2
InChIInChI=1S/C15H15ClN2O3/c1-3-21-13-6-9-4-5-18-11(8-14(16)17-15(18)19)10(9)7-12(13)20-2/h6-8H,3-5H2,1-2H3
InChIKeyMPPCJQGXVHVLTD-UHFFFAOYSA-N
MW306.75 g/mol
LogP2.53
Rot. Bonds3

About 2-chloro-9-ethoxy-10-methoxy-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one

2-chloro-9-ethoxy-10-methoxy-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one (PubChem CID 146299674) has the molecular formula C15H15ClN2O3 and a molecular weight of 306.75 g/mol. Its IUPAC name is 2-chloro-9-ethoxy-10-methoxy-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one.

Molecular Properties

Compound Name2-chloro-9-ethoxy-10-methoxy-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one
PubChem CID146299674
Molecular FormulaC15H15ClN2O3
Molecular Weight306.75 g/mol
Exact Mass306.08
IUPAC Name2-chloro-9-ethoxy-10-methoxy-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one
SMILESCCOc1cc2c(cc1OC)-c1cc(Cl)nc(=O)n1CC2
InChIInChI=1S/C15H15ClN2O3/c1-3-21-13-6-9-4-5-18-11(8-14(16)17-15(18)19)10(9)7-12(13)20-2/h6-8H,3-5H2,1-2H3
InChIKeyMPPCJQGXVHVLTD-UHFFFAOYSA-N
XLogP2.53
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.75
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-butoxyphenoxy)-9,10-dimethoxy-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one
CID 7093146
2-(4-chloroanilino)-9,10-dimethoxy-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one
CID 2041674
9,10-dimethoxy-2-(2-pyridin-2-yloxyethoxy)-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one
CID 162642975
9,10-dimethoxy-2-(prop-2-enylamino)-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one
CID 2020559
9,10-dimethoxy-2-(2-morpholin-4-ylethoxy)-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one
CID 666085
2-chloro-10-(hydroxymethyl)-9-methyl-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one
CID 174356188
9,10-dimethoxy-2-(pyridin-2-ylmethylamino)-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one
CID 665278
5-ethoxy-6-methoxy-2,3-dihydroinden-1-one
CID 14635993
9,10-dimethoxy-2-(3,4,5-trimethoxyanilino)-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one;hydrochloride
CID 54583747
2-[(4-fluorophenyl)methylamino]-9,10-dimethoxy-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one
CID 2031880
2-(2,3-dimethylphenoxy)-9,10-dimethoxy-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one
CID 20896181
2-(4-bromoanilino)-9,10-dimethoxy-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one
CID 2044491

Frequently Asked Questions

What is the IUPAC name of 2-chloro-9-ethoxy-10-methoxy-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one?
The IUPAC name of 2-chloro-9-ethoxy-10-methoxy-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one (CID 146299674) is 2-chloro-9-ethoxy-10-methoxy-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one.
What is the SMILES notation for 2-chloro-9-ethoxy-10-methoxy-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one?
The canonical SMILES for 2-chloro-9-ethoxy-10-methoxy-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one is CCOc1cc2c(cc1OC)-c1cc(Cl)nc(=O)n1CC2.
What is the InChIKey of 2-chloro-9-ethoxy-10-methoxy-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one?
The InChIKey is MPPCJQGXVHVLTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O3/c1-3-21-13-6-9-4-5-18-11(8-14(16)17-15(18)19)10(9)7-12(13)20-2/h6-8H,3-5H2,1-2H3.
What are the key properties of 2-chloro-9-ethoxy-10-methoxy-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one?
2-chloro-9-ethoxy-10-methoxy-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one has a molecular weight of 306.75 g/mol, XLogP of 2.53, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-9-ethoxy-10-methoxy-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one is sourced from PubChem (CID 146299674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).