2-[(3-fluoro-2-pyridinyl)methoxy]-9,10-dimethoxy-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one

C20H18FN3O4 — CID 162658448

IUPAC2-[(3-fluoro-2-pyridinyl)methoxy]-9,10-dimethoxy-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one
SMILESCOc1cc2c(cc1OC)-c1cc(OCc3ncccc3F)nc(=O)n1CC2
InChIInChI=1S/C20H18FN3O4/c1-26-17-8-12-5-7-24-16(13(12)9-18(17)27-2)10-19(23-20(24)25)28-11-15-14(21)4-3-6-22-15/h3-4,6,8-10H,5,7,11H2,1-2H3
InChIKeyCYSFZDOQCLRCAP-UHFFFAOYSA-N
MW383.38 g/mol
LogP2.60
Rot. Bonds5

About 2-[(3-fluoro-2-pyridinyl)methoxy]-9,10-dimethoxy-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one

2-[(3-fluoro-2-pyridinyl)methoxy]-9,10-dimethoxy-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one (PubChem CID 162658448) has the molecular formula C20H18FN3O4 and a molecular weight of 383.38 g/mol. Its IUPAC name is 2-[(3-fluoro-2-pyridinyl)methoxy]-9,10-dimethoxy-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one.

Molecular Properties

Compound Name2-[(3-fluoro-2-pyridinyl)methoxy]-9,10-dimethoxy-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one
PubChem CID162658448
Molecular FormulaC20H18FN3O4
Molecular Weight383.38 g/mol
Exact Mass383.13
IUPAC Name2-[(3-fluoro-2-pyridinyl)methoxy]-9,10-dimethoxy-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one
SMILESCOc1cc2c(cc1OC)-c1cc(OCc3ncccc3F)nc(=O)n1CC2
InChIInChI=1S/C20H18FN3O4/c1-26-17-8-12-5-7-24-16(13(12)9-18(17)27-2)10-19(23-20(24)25)28-11-15-14(21)4-3-6-22-15/h3-4,6,8-10H,5,7,11H2,1-2H3
InChIKeyCYSFZDOQCLRCAP-UHFFFAOYSA-N
XLogP2.60
TPSA75.47 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.38
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[(3-fluoro-2-pyridinyl)methoxy]-9,10-dimethoxy-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-fluoro-2-pyridinyl)methoxy]-9,10-dimethoxy-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one?
The IUPAC name of 2-[(3-fluoro-2-pyridinyl)methoxy]-9,10-dimethoxy-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one (CID 162658448) is 2-[(3-fluoro-2-pyridinyl)methoxy]-9,10-dimethoxy-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one.
What is the SMILES notation for 2-[(3-fluoro-2-pyridinyl)methoxy]-9,10-dimethoxy-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one?
The canonical SMILES for 2-[(3-fluoro-2-pyridinyl)methoxy]-9,10-dimethoxy-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one is COc1cc2c(cc1OC)-c1cc(OCc3ncccc3F)nc(=O)n1CC2.
What is the InChIKey of 2-[(3-fluoro-2-pyridinyl)methoxy]-9,10-dimethoxy-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one?
The InChIKey is CYSFZDOQCLRCAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3O4/c1-26-17-8-12-5-7-24-16(13(12)9-18(17)27-2)10-19(23-20(24)25)28-11-15-14(21)4-3-6-22-15/h3-4,6,8-10H,5,7,11H2,1-2H3.
What are the key properties of 2-[(3-fluoro-2-pyridinyl)methoxy]-9,10-dimethoxy-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one?
2-[(3-fluoro-2-pyridinyl)methoxy]-9,10-dimethoxy-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one has a molecular weight of 383.38 g/mol, XLogP of 2.60, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-fluoro-2-pyridinyl)methoxy]-9,10-dimethoxy-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one is sourced from PubChem (CID 162658448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).