1-(2-ethyl-7,8-dimethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl)ethanone

C18H22N2O — CID 82451050

IUPAC1-(2-ethyl-7,8-dimethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl)ethanone
SMILESCCN1CCc2nc3cc(C)c(C)cc3c(C(C)=O)c2C1
InChIInChI=1S/C18H22N2O/c1-5-20-7-6-16-15(10-20)18(13(4)21)14-8-11(2)12(3)9-17(14)19-16/h8-9H,5-7,10H2,1-4H3
InChIKeyIJJVNITXVOHICO-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.43
Rot. Bonds2

About 1-(2-ethyl-7,8-dimethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl)ethanone

1-(2-ethyl-7,8-dimethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl)ethanone (PubChem CID 82451050) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is 1-(2-ethyl-7,8-dimethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl)ethanone.

Molecular Properties

Compound Name1-(2-ethyl-7,8-dimethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl)ethanone
PubChem CID82451050
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Name1-(2-ethyl-7,8-dimethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl)ethanone
SMILESCCN1CCc2nc3cc(C)c(C)cc3c(C(C)=O)c2C1
InChIInChI=1S/C18H22N2O/c1-5-20-7-6-16-15(10-20)18(13(4)21)14-8-11(2)12(3)9-17(14)19-16/h8-9H,5-7,10H2,1-4H3
InChIKeyIJJVNITXVOHICO-UHFFFAOYSA-N
XLogP3.43
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(2-ethyl-7,8-dimethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl)ethanone with MolForge

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Related Compounds

2-ethyl-8-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carbohydrazide
CID 82450420
2-ethyl-7,9-dimethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carbohydrazide
CID 82450941
2-ethyl-7,9-difluoro-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxylic acid
CID 61360264
N-(4,5-dimethoxy-2-methylphenyl)-2-ethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxamide
CID 26209459
(2-ethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl)-[4-(4-methylquinolin-2-yl)piperazin-1-yl]methanone
CID 108742651
8-chloro-2-ethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carbothioamide
CID 82451410
6,7-dichloro-2-ethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxylic acid
CID 60984693
2-ethyl-N-(2-methoxy-5-methylphenyl)-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxamide
CID 108804826
2-ethyl-N-[1-(2-methylphenyl)ethyl]-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxamide
CID 18083356
2-ethyl-N-(3-methylbutyl)-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxamide
CID 108804812
phenacyl 2-ethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxylate
CID 23999629
(E)-3-(2-ethyl-8-fluoro-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl)prop-2-enoic acid
CID 82451534

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethyl-7,8-dimethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl)ethanone?
The IUPAC name of 1-(2-ethyl-7,8-dimethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl)ethanone (CID 82451050) is 1-(2-ethyl-7,8-dimethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl)ethanone.
What is the SMILES notation for 1-(2-ethyl-7,8-dimethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl)ethanone?
The canonical SMILES for 1-(2-ethyl-7,8-dimethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl)ethanone is CCN1CCc2nc3cc(C)c(C)cc3c(C(C)=O)c2C1.
What is the InChIKey of 1-(2-ethyl-7,8-dimethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl)ethanone?
The InChIKey is IJJVNITXVOHICO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-5-20-7-6-16-15(10-20)18(13(4)21)14-8-11(2)12(3)9-17(14)19-16/h8-9H,5-7,10H2,1-4H3.
What are the key properties of 1-(2-ethyl-7,8-dimethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl)ethanone?
1-(2-ethyl-7,8-dimethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl)ethanone has a molecular weight of 282.39 g/mol, XLogP of 3.43, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethyl-7,8-dimethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl)ethanone is sourced from PubChem (CID 82451050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).