2-(3,4-dihydro-2H-quinolin-1-yl)-9,10-dimethoxy-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one

C23H23N3O3 — CID 663831

IUPAC2-(3,4-dihydro-2H-quinolin-1-yl)-9,10-dimethoxy-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one
SMILESCOc1cc2c(cc1OC)-c1cc(N3CCCc4ccccc43)nc(=O)n1CC2
InChIInChI=1S/C23H23N3O3/c1-28-20-12-16-9-11-26-19(17(16)13-21(20)29-2)14-22(24-23(26)27)25-10-5-7-15-6-3-4-8-18(15)25/h3-4,6,8,12-14H,5,7,9-11H2,1-2H3
InChIKeyUYPMUBFBYLWPON-UHFFFAOYSA-N
MW389.46 g/mol
LogP3.57
Rot. Bonds3

About 2-(3,4-dihydro-2H-quinolin-1-yl)-9,10-dimethoxy-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one

2-(3,4-dihydro-2H-quinolin-1-yl)-9,10-dimethoxy-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one (PubChem CID 663831) has the molecular formula C23H23N3O3 and a molecular weight of 389.46 g/mol. Its IUPAC name is 2-(3,4-dihydro-2H-quinolin-1-yl)-9,10-dimethoxy-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one.

Molecular Properties

Compound Name2-(3,4-dihydro-2H-quinolin-1-yl)-9,10-dimethoxy-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one
PubChem CID663831
Molecular FormulaC23H23N3O3
Molecular Weight389.46 g/mol
Exact Mass389.17
IUPAC Name2-(3,4-dihydro-2H-quinolin-1-yl)-9,10-dimethoxy-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one
SMILESCOc1cc2c(cc1OC)-c1cc(N3CCCc4ccccc43)nc(=O)n1CC2
InChIInChI=1S/C23H23N3O3/c1-28-20-12-16-9-11-26-19(17(16)13-21(20)29-2)14-22(24-23(26)27)25-10-5-7-15-6-3-4-8-18(15)25/h3-4,6,8,12-14H,5,7,9-11H2,1-2H3
InChIKeyUYPMUBFBYLWPON-UHFFFAOYSA-N
XLogP3.57
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-2H-quinolin-1-yl)-9,10-dimethoxy-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one?
The IUPAC name of 2-(3,4-dihydro-2H-quinolin-1-yl)-9,10-dimethoxy-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one (CID 663831) is 2-(3,4-dihydro-2H-quinolin-1-yl)-9,10-dimethoxy-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one.
What is the SMILES notation for 2-(3,4-dihydro-2H-quinolin-1-yl)-9,10-dimethoxy-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one?
The canonical SMILES for 2-(3,4-dihydro-2H-quinolin-1-yl)-9,10-dimethoxy-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one is COc1cc2c(cc1OC)-c1cc(N3CCCc4ccccc43)nc(=O)n1CC2.
What is the InChIKey of 2-(3,4-dihydro-2H-quinolin-1-yl)-9,10-dimethoxy-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one?
The InChIKey is UYPMUBFBYLWPON-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O3/c1-28-20-12-16-9-11-26-19(17(16)13-21(20)29-2)14-22(24-23(26)27)25-10-5-7-15-6-3-4-8-18(15)25/h3-4,6,8,12-14H,5,7,9-11H2,1-2H3.
What are the key properties of 2-(3,4-dihydro-2H-quinolin-1-yl)-9,10-dimethoxy-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one?
2-(3,4-dihydro-2H-quinolin-1-yl)-9,10-dimethoxy-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one has a molecular weight of 389.46 g/mol, XLogP of 3.57, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydro-2H-quinolin-1-yl)-9,10-dimethoxy-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one is sourced from PubChem (CID 663831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).