6-benzyl-2-phenylmethoxy-7,8-dihydro-1,6-naphthyridin-5-one

C22H20N2O2 — CID 90645517

IUPAC6-benzyl-2-phenylmethoxy-7,8-dihydro-1,6-naphthyridin-5-one
SMILESO=C1c2ccc(OCc3ccccc3)nc2CCN1Cc1ccccc1
InChIInChI=1S/C22H20N2O2/c25-22-19-11-12-21(26-16-18-9-5-2-6-10-18)23-20(19)13-14-24(22)15-17-7-3-1-4-8-17/h1-12H,13-16H2
InChIKeyQFHIZTIQKQPCIE-UHFFFAOYSA-N
MW344.41 g/mol
LogP3.86
Rot. Bonds5

About 6-benzyl-2-phenylmethoxy-7,8-dihydro-1,6-naphthyridin-5-one

6-benzyl-2-phenylmethoxy-7,8-dihydro-1,6-naphthyridin-5-one (PubChem CID 90645517) has the molecular formula C22H20N2O2 and a molecular weight of 344.41 g/mol. Its IUPAC name is 6-benzyl-2-phenylmethoxy-7,8-dihydro-1,6-naphthyridin-5-one.

Molecular Properties

Compound Name6-benzyl-2-phenylmethoxy-7,8-dihydro-1,6-naphthyridin-5-one
PubChem CID90645517
Molecular FormulaC22H20N2O2
Molecular Weight344.41 g/mol
Exact Mass344.15
IUPAC Name6-benzyl-2-phenylmethoxy-7,8-dihydro-1,6-naphthyridin-5-one
SMILESO=C1c2ccc(OCc3ccccc3)nc2CCN1Cc1ccccc1
InChIInChI=1S/C22H20N2O2/c25-22-19-11-12-21(26-16-18-9-5-2-6-10-18)23-20(19)13-14-24(22)15-17-7-3-1-4-8-17/h1-12H,13-16H2
InChIKeyQFHIZTIQKQPCIE-UHFFFAOYSA-N
XLogP3.86
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-benzyl-2-phenylmethoxy-7,8-dihydro-1,6-naphthyridin-5-one?
The IUPAC name of 6-benzyl-2-phenylmethoxy-7,8-dihydro-1,6-naphthyridin-5-one (CID 90645517) is 6-benzyl-2-phenylmethoxy-7,8-dihydro-1,6-naphthyridin-5-one.
What is the SMILES notation for 6-benzyl-2-phenylmethoxy-7,8-dihydro-1,6-naphthyridin-5-one?
The canonical SMILES for 6-benzyl-2-phenylmethoxy-7,8-dihydro-1,6-naphthyridin-5-one is O=C1c2ccc(OCc3ccccc3)nc2CCN1Cc1ccccc1.
What is the InChIKey of 6-benzyl-2-phenylmethoxy-7,8-dihydro-1,6-naphthyridin-5-one?
The InChIKey is QFHIZTIQKQPCIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O2/c25-22-19-11-12-21(26-16-18-9-5-2-6-10-18)23-20(19)13-14-24(22)15-17-7-3-1-4-8-17/h1-12H,13-16H2.
What are the key properties of 6-benzyl-2-phenylmethoxy-7,8-dihydro-1,6-naphthyridin-5-one?
6-benzyl-2-phenylmethoxy-7,8-dihydro-1,6-naphthyridin-5-one has a molecular weight of 344.41 g/mol, XLogP of 3.86, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzyl-2-phenylmethoxy-7,8-dihydro-1,6-naphthyridin-5-one is sourced from PubChem (CID 90645517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).