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

C19H16FN3O3 — CID 162656165

IUPAC2-[(3-fluoro-2-pyridinyl)methoxy]-9-methoxy-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one
SMILESCOc1ccc2c(c1)CCn1c-2cc(OCc2ncccc2F)nc1=O
InChIInChI=1S/C19H16FN3O3/c1-25-13-4-5-14-12(9-13)6-8-23-17(14)10-18(22-19(23)24)26-11-16-15(20)3-2-7-21-16/h2-5,7,9-10H,6,8,11H2,1H3
InChIKeyKHKZSYUBQXTNKR-UHFFFAOYSA-N
MW353.35 g/mol
LogP2.59
Rot. Bonds4

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

2-[(3-fluoro-2-pyridinyl)methoxy]-9-methoxy-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one (PubChem CID 162656165) has the molecular formula C19H16FN3O3 and a molecular weight of 353.35 g/mol. Its IUPAC name is 2-[(3-fluoro-2-pyridinyl)methoxy]-9-methoxy-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one.

Molecular Properties

Compound Name2-[(3-fluoro-2-pyridinyl)methoxy]-9-methoxy-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one
PubChem CID162656165
Molecular FormulaC19H16FN3O3
Molecular Weight353.35 g/mol
Exact Mass353.12
IUPAC Name2-[(3-fluoro-2-pyridinyl)methoxy]-9-methoxy-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one
SMILESCOc1ccc2c(c1)CCn1c-2cc(OCc2ncccc2F)nc1=O
InChIInChI=1S/C19H16FN3O3/c1-25-13-4-5-14-12(9-13)6-8-23-17(14)10-18(22-19(23)24)26-11-16-15(20)3-2-7-21-16/h2-5,7,9-10H,6,8,11H2,1H3
InChIKeyKHKZSYUBQXTNKR-UHFFFAOYSA-N
XLogP2.59
TPSA66.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.35
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-fluoro-2-pyridinyl)methoxy]-9-methoxy-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one?
The IUPAC name of 2-[(3-fluoro-2-pyridinyl)methoxy]-9-methoxy-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one (CID 162656165) is 2-[(3-fluoro-2-pyridinyl)methoxy]-9-methoxy-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one.
What is the SMILES notation for 2-[(3-fluoro-2-pyridinyl)methoxy]-9-methoxy-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one?
The canonical SMILES for 2-[(3-fluoro-2-pyridinyl)methoxy]-9-methoxy-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one is COc1ccc2c(c1)CCn1c-2cc(OCc2ncccc2F)nc1=O.
What is the InChIKey of 2-[(3-fluoro-2-pyridinyl)methoxy]-9-methoxy-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one?
The InChIKey is KHKZSYUBQXTNKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN3O3/c1-25-13-4-5-14-12(9-13)6-8-23-17(14)10-18(22-19(23)24)26-11-16-15(20)3-2-7-21-16/h2-5,7,9-10H,6,8,11H2,1H3.
What are the key properties of 2-[(3-fluoro-2-pyridinyl)methoxy]-9-methoxy-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one?
2-[(3-fluoro-2-pyridinyl)methoxy]-9-methoxy-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one has a molecular weight of 353.35 g/mol, XLogP of 2.59, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-fluoro-2-pyridinyl)methoxy]-9-methoxy-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one is sourced from PubChem (CID 162656165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).