7-ethyl-2,3,4,6-tetrahydro-1H-benzo[c][2,7]naphthyridin-5-one

C14H16N2O — CID 84625460

IUPAC7-ethyl-2,3,4,6-tetrahydro-1H-benzo[c][2,7]naphthyridin-5-one
SMILESCCc1cccc2c3c(c(=O)[nH]c12)CNCC3
InChIInChI=1S/C14H16N2O/c1-2-9-4-3-5-11-10-6-7-15-8-12(10)14(17)16-13(9)11/h3-5,15H,2,6-8H2,1H3,(H,16,17)
InChIKeyVEOLMUHVAWQWEQ-UHFFFAOYSA-N
MW228.29 g/mol
LogP1.74
Rot. Bonds1

About 7-ethyl-2,3,4,6-tetrahydro-1H-benzo[c][2,7]naphthyridin-5-one

7-ethyl-2,3,4,6-tetrahydro-1H-benzo[c][2,7]naphthyridin-5-one (PubChem CID 84625460) has the molecular formula C14H16N2O and a molecular weight of 228.29 g/mol. Its IUPAC name is 7-ethyl-2,3,4,6-tetrahydro-1H-benzo[c][2,7]naphthyridin-5-one.

Molecular Properties

Compound Name7-ethyl-2,3,4,6-tetrahydro-1H-benzo[c][2,7]naphthyridin-5-one
PubChem CID84625460
Molecular FormulaC14H16N2O
Molecular Weight228.29 g/mol
Exact Mass228.13
IUPAC Name7-ethyl-2,3,4,6-tetrahydro-1H-benzo[c][2,7]naphthyridin-5-one
SMILESCCc1cccc2c3c(c(=O)[nH]c12)CNCC3
InChIInChI=1S/C14H16N2O/c1-2-9-4-3-5-11-10-6-7-15-8-12(10)14(17)16-13(9)11/h3-5,15H,2,6-8H2,1H3,(H,16,17)
InChIKeyVEOLMUHVAWQWEQ-UHFFFAOYSA-N
XLogP1.74
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

8-ethyl-1-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
CID 82492828
8-ethyl-2,3,4,9-tetrahydro-1H-carbazole
CID 21239685
(5-ethyl-1,2,3,4-tetrahydrocyclopenta[b]indol-3-yl)methanamine
CID 83835518
5,8-diethyl-1,4-dihydroquinoxaline-2,3-dione
CID 118870848
8-ethyl-2-sulfanylidene-1H-quinazolin-4-one
CID 114588827
8-ethyl-2-oxo-4-propan-2-yl-1H-quinoline-3-carboxylic acid
CID 84637722
8,9-dimethoxy-2,3,4,6-tetrahydro-1H-benzo[c][2,7]naphthyridin-5-one;hydrochloride
CID 22611132
8-ethyl-2-propan-2-yl-1H-quinolin-4-one
CID 43668106
1,2,3,4-tetrahydrochromeno[3,4-c]pyridin-5-one
CID 13136922
2-cyclohexyl-7-ethyl-1H-indole-3-carbaldehyde
CID 3764850
1-ethyl-6,7-dimethoxy-9H-carbazole
CID 23270445
8-bromo-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
CID 10467319

Frequently Asked Questions

What is the IUPAC name of 7-ethyl-2,3,4,6-tetrahydro-1H-benzo[c][2,7]naphthyridin-5-one?
The IUPAC name of 7-ethyl-2,3,4,6-tetrahydro-1H-benzo[c][2,7]naphthyridin-5-one (CID 84625460) is 7-ethyl-2,3,4,6-tetrahydro-1H-benzo[c][2,7]naphthyridin-5-one.
What is the SMILES notation for 7-ethyl-2,3,4,6-tetrahydro-1H-benzo[c][2,7]naphthyridin-5-one?
The canonical SMILES for 7-ethyl-2,3,4,6-tetrahydro-1H-benzo[c][2,7]naphthyridin-5-one is CCc1cccc2c3c(c(=O)[nH]c12)CNCC3.
What is the InChIKey of 7-ethyl-2,3,4,6-tetrahydro-1H-benzo[c][2,7]naphthyridin-5-one?
The InChIKey is VEOLMUHVAWQWEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O/c1-2-9-4-3-5-11-10-6-7-15-8-12(10)14(17)16-13(9)11/h3-5,15H,2,6-8H2,1H3,(H,16,17).
What are the key properties of 7-ethyl-2,3,4,6-tetrahydro-1H-benzo[c][2,7]naphthyridin-5-one?
7-ethyl-2,3,4,6-tetrahydro-1H-benzo[c][2,7]naphthyridin-5-one has a molecular weight of 228.29 g/mol, XLogP of 1.74, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-2,3,4,6-tetrahydro-1H-benzo[c][2,7]naphthyridin-5-one is sourced from PubChem (CID 84625460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).