2,7-dibenzyl-6,8-dihydro-5H-2,7-naphthyridin-1-one

C22H22N2O — CID 171552374

IUPAC2,7-dibenzyl-6,8-dihydro-5H-2,7-naphthyridin-1-one
SMILESO=c1c2c(ccn1Cc1ccccc1)CCN(Cc1ccccc1)C2
InChIInChI=1S/C22H22N2O/c25-22-21-17-23(15-18-7-3-1-4-8-18)13-11-20(21)12-14-24(22)16-19-9-5-2-6-10-19/h1-10,12,14H,11,13,15-17H2
InChIKeyRGQUQNRPLGQMAS-UHFFFAOYSA-N
MW330.43 g/mol
LogP3.45
Rot. Bonds4

About 2,7-dibenzyl-6,8-dihydro-5H-2,7-naphthyridin-1-one

2,7-dibenzyl-6,8-dihydro-5H-2,7-naphthyridin-1-one (PubChem CID 171552374) has the molecular formula C22H22N2O and a molecular weight of 330.43 g/mol. Its IUPAC name is 2,7-dibenzyl-6,8-dihydro-5H-2,7-naphthyridin-1-one.

Molecular Properties

Compound Name2,7-dibenzyl-6,8-dihydro-5H-2,7-naphthyridin-1-one
PubChem CID171552374
Molecular FormulaC22H22N2O
Molecular Weight330.43 g/mol
Exact Mass330.17
IUPAC Name2,7-dibenzyl-6,8-dihydro-5H-2,7-naphthyridin-1-one
SMILESO=c1c2c(ccn1Cc1ccccc1)CCN(Cc1ccccc1)C2
InChIInChI=1S/C22H22N2O/c25-22-21-17-23(15-18-7-3-1-4-8-18)13-11-20(21)12-14-24(22)16-19-9-5-2-6-10-19/h1-10,12,14H,11,13,15-17H2
InChIKeyRGQUQNRPLGQMAS-UHFFFAOYSA-N
XLogP3.45
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

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Related Compounds

3-[[7-[[4-(1,1-difluoroethyl)phenyl]methyl]-8-oxo-3,4-dihydro-1H-2,7-naphthyridin-2-yl]methyl]benzonitrile
CID 165073075
2-benzyl-8-phenyl-3,4-dihydro-1H-isoquinoline;hydrochloride
CID 45263090
6-benzyl-2,5,7,8-tetrahydro-2,6-naphthyridin-3-one
CID 146160543
3,6-dibenzyl-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-dione;hydrochloride
CID 19423339
2,6-dibenzyl-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one
CID 67373232
2-benzyl-8-(3-bromophenyl)-3,4-dihydro-1H-isoquinoline
CID 23344348
1-benzyl-4,5-diethyl-3,6-dihydro-2H-pyridine
CID 70971463
1-benzylpiperidin-3-one;hydrate
CID 144851326
6-benzyl-2-oxo-1,5,7,8-tetrahydro-1,6-naphthyridine-3-carboxylic acid
CID 15282143
1-benzylpiperidin-3-one;ethene
CID 153347429
(3Z,4E)-1-benzyl-3,4-di(ethylidene)piperidine
CID 10911293
2-benzyl-3,4-dihydro-1H-isoquinolin-7-amine;hydrochloride
CID 23298431

Frequently Asked Questions

What is the IUPAC name of 2,7-dibenzyl-6,8-dihydro-5H-2,7-naphthyridin-1-one?
The IUPAC name of 2,7-dibenzyl-6,8-dihydro-5H-2,7-naphthyridin-1-one (CID 171552374) is 2,7-dibenzyl-6,8-dihydro-5H-2,7-naphthyridin-1-one.
What is the SMILES notation for 2,7-dibenzyl-6,8-dihydro-5H-2,7-naphthyridin-1-one?
The canonical SMILES for 2,7-dibenzyl-6,8-dihydro-5H-2,7-naphthyridin-1-one is O=c1c2c(ccn1Cc1ccccc1)CCN(Cc1ccccc1)C2.
What is the InChIKey of 2,7-dibenzyl-6,8-dihydro-5H-2,7-naphthyridin-1-one?
The InChIKey is RGQUQNRPLGQMAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O/c25-22-21-17-23(15-18-7-3-1-4-8-18)13-11-20(21)12-14-24(22)16-19-9-5-2-6-10-19/h1-10,12,14H,11,13,15-17H2.
What are the key properties of 2,7-dibenzyl-6,8-dihydro-5H-2,7-naphthyridin-1-one?
2,7-dibenzyl-6,8-dihydro-5H-2,7-naphthyridin-1-one has a molecular weight of 330.43 g/mol, XLogP of 3.45, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dibenzyl-6,8-dihydro-5H-2,7-naphthyridin-1-one is sourced from PubChem (CID 171552374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).