3-[2-(3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridin-2-yl)ethyl]-9-(111C)methoxy-2-methylpyrido[1,2-a]pyrimidin-4-one

C23H23N3O3 — CID 46209441

IUPAC3-[2-(3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridin-2-yl)ethyl]-9-(111C)methoxy-2-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCc1nc2c(O[11CH3])cccn2c(=O)c1CCN1CCc2oc3ccccc3c2C1
InChIInChI=1S/C23H23N3O3/c1-15-16(23(27)26-11-5-8-21(28-2)22(26)24-15)9-12-25-13-10-20-18(14-25)17-6-3-4-7-19(17)29-20/h3-8,11H,9-10,12-14H2,1-2H3/i2-1
InChIKeyHPNSJGWCFMHOJX-JVVVGQRLSA-N
MW388.46 g/mol
LogP3.36
Rot. Bonds4

About 3-[2-(3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridin-2-yl)ethyl]-9-(111C)methoxy-2-methylpyrido[1,2-a]pyrimidin-4-one

3-[2-(3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridin-2-yl)ethyl]-9-(111C)methoxy-2-methylpyrido[1,2-a]pyrimidin-4-one (PubChem CID 46209441) has the molecular formula C23H23N3O3 and a molecular weight of 388.46 g/mol. Its IUPAC name is 3-[2-(3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridin-2-yl)ethyl]-9-(111C)methoxy-2-methylpyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name3-[2-(3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridin-2-yl)ethyl]-9-(111C)methoxy-2-methylpyrido[1,2-a]pyrimidin-4-one
PubChem CID46209441
Molecular FormulaC23H23N3O3
Molecular Weight388.46 g/mol
Exact Mass388.19
IUPAC Name3-[2-(3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridin-2-yl)ethyl]-9-(111C)methoxy-2-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCc1nc2c(O[11CH3])cccn2c(=O)c1CCN1CCc2oc3ccccc3c2C1
InChIInChI=1S/C23H23N3O3/c1-15-16(23(27)26-11-5-8-21(28-2)22(26)24-15)9-12-25-13-10-20-18(14-25)17-6-3-4-7-19(17)29-20/h3-8,11H,9-10,12-14H2,1-2H3/i2-1
InChIKeyHPNSJGWCFMHOJX-JVVVGQRLSA-N
XLogP3.36
TPSA59.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.46
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-[2-(3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridin-2-yl)ethyl]-9-(111C)methoxy-2-methylpyrido[1,2-a]pyrimidin-4-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridin-2-yl)ethyl]-9-(111C)methoxy-2-methylpyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 3-[2-(3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridin-2-yl)ethyl]-9-(111C)methoxy-2-methylpyrido[1,2-a]pyrimidin-4-one (CID 46209441) is 3-[2-(3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridin-2-yl)ethyl]-9-(111C)methoxy-2-methylpyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 3-[2-(3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridin-2-yl)ethyl]-9-(111C)methoxy-2-methylpyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 3-[2-(3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridin-2-yl)ethyl]-9-(111C)methoxy-2-methylpyrido[1,2-a]pyrimidin-4-one is Cc1nc2c(O[11CH3])cccn2c(=O)c1CCN1CCc2oc3ccccc3c2C1.
What is the InChIKey of 3-[2-(3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridin-2-yl)ethyl]-9-(111C)methoxy-2-methylpyrido[1,2-a]pyrimidin-4-one?
The InChIKey is HPNSJGWCFMHOJX-JVVVGQRLSA-N. The full InChI is InChI=1S/C23H23N3O3/c1-15-16(23(27)26-11-5-8-21(28-2)22(26)24-15)9-12-25-13-10-20-18(14-25)17-6-3-4-7-19(17)29-20/h3-8,11H,9-10,12-14H2,1-2H3/i2-1.
What are the key properties of 3-[2-(3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridin-2-yl)ethyl]-9-(111C)methoxy-2-methylpyrido[1,2-a]pyrimidin-4-one?
3-[2-(3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridin-2-yl)ethyl]-9-(111C)methoxy-2-methylpyrido[1,2-a]pyrimidin-4-one has a molecular weight of 388.46 g/mol, XLogP of 3.36, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridin-2-yl)ethyl]-9-(111C)methoxy-2-methylpyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 46209441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).