6-benzyl-2,3-bis(ethenyl)-1-ethyl-7,8-dihydro-5H-1,6-naphthyridin-4-one

C21H24N2O — CID 142430077

IUPAC6-benzyl-2,3-bis(ethenyl)-1-ethyl-7,8-dihydro-5H-1,6-naphthyridin-4-one
SMILESC=Cc1c(C=C)n(CC)c2c(c1=O)CN(Cc1ccccc1)CC2
InChIInChI=1S/C21H24N2O/c1-4-17-19(5-2)23(6-3)20-12-13-22(15-18(20)21(17)24)14-16-10-8-7-9-11-16/h4-5,7-11H,1-2,6,12-15H2,3H3
InChIKeyKNJWUHXAFFBWLX-UHFFFAOYSA-N
MW320.44 g/mol
LogP3.71
Rot. Bonds5

About 6-benzyl-2,3-bis(ethenyl)-1-ethyl-7,8-dihydro-5H-1,6-naphthyridin-4-one

6-benzyl-2,3-bis(ethenyl)-1-ethyl-7,8-dihydro-5H-1,6-naphthyridin-4-one (PubChem CID 142430077) has the molecular formula C21H24N2O and a molecular weight of 320.44 g/mol. Its IUPAC name is 6-benzyl-2,3-bis(ethenyl)-1-ethyl-7,8-dihydro-5H-1,6-naphthyridin-4-one.

Molecular Properties

Compound Name6-benzyl-2,3-bis(ethenyl)-1-ethyl-7,8-dihydro-5H-1,6-naphthyridin-4-one
PubChem CID142430077
Molecular FormulaC21H24N2O
Molecular Weight320.44 g/mol
Exact Mass320.19
IUPAC Name6-benzyl-2,3-bis(ethenyl)-1-ethyl-7,8-dihydro-5H-1,6-naphthyridin-4-one
SMILESC=Cc1c(C=C)n(CC)c2c(c1=O)CN(Cc1ccccc1)CC2
InChIInChI=1S/C21H24N2O/c1-4-17-19(5-2)23(6-3)20-12-13-22(15-18(20)21(17)24)14-16-10-8-7-9-11-16/h4-5,7-11H,1-2,6,12-15H2,3H3
InChIKeyKNJWUHXAFFBWLX-UHFFFAOYSA-N
XLogP3.71
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-benzyl-3-[[3-(1,1-difluoroethyl)phenyl]methyl]-1-ethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2,4-dione
CID 159067808
(3Z)-1-benzyl-3-(dimethylaminomethylidene)piperidin-4-one
CID 28742102
6-benzyl-2-ethylimino-3-methyl-1-[(2-methylphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-one
CID 71007141
1-benzylpiperidin-3-one;ethene
CID 153347429
1-benzylpiperidin-4-one;butane
CID 70571840
1,5-dibenzyl-2-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine
CID 21498263
2-benzyl-5-(2-pyrrolidin-1-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole
CID 141304369
11-benzyl-2-ethyl-N-(3-methylbutyl)-8-oxo-2,6,7,11-tetrazatricyclo[7.4.0.03,7]trideca-1(9),3,5-triene-4-carboxamide
CID 53053589
1-benzyl-4,5-diethyl-3,6-dihydro-2H-pyridine
CID 70971463
1-benzylpiperidin-3-one;hydrate
CID 144851326
4-benzyl-1-ethylpiperazin-2-one;ethane
CID 143408188
3,6-dibenzyl-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-dione;hydrochloride
CID 19423339

Frequently Asked Questions

What is the IUPAC name of 6-benzyl-2,3-bis(ethenyl)-1-ethyl-7,8-dihydro-5H-1,6-naphthyridin-4-one?
The IUPAC name of 6-benzyl-2,3-bis(ethenyl)-1-ethyl-7,8-dihydro-5H-1,6-naphthyridin-4-one (CID 142430077) is 6-benzyl-2,3-bis(ethenyl)-1-ethyl-7,8-dihydro-5H-1,6-naphthyridin-4-one.
What is the SMILES notation for 6-benzyl-2,3-bis(ethenyl)-1-ethyl-7,8-dihydro-5H-1,6-naphthyridin-4-one?
The canonical SMILES for 6-benzyl-2,3-bis(ethenyl)-1-ethyl-7,8-dihydro-5H-1,6-naphthyridin-4-one is C=Cc1c(C=C)n(CC)c2c(c1=O)CN(Cc1ccccc1)CC2.
What is the InChIKey of 6-benzyl-2,3-bis(ethenyl)-1-ethyl-7,8-dihydro-5H-1,6-naphthyridin-4-one?
The InChIKey is KNJWUHXAFFBWLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O/c1-4-17-19(5-2)23(6-3)20-12-13-22(15-18(20)21(17)24)14-16-10-8-7-9-11-16/h4-5,7-11H,1-2,6,12-15H2,3H3.
What are the key properties of 6-benzyl-2,3-bis(ethenyl)-1-ethyl-7,8-dihydro-5H-1,6-naphthyridin-4-one?
6-benzyl-2,3-bis(ethenyl)-1-ethyl-7,8-dihydro-5H-1,6-naphthyridin-4-one has a molecular weight of 320.44 g/mol, XLogP of 3.71, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzyl-2,3-bis(ethenyl)-1-ethyl-7,8-dihydro-5H-1,6-naphthyridin-4-one is sourced from PubChem (CID 142430077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).