2,8-dimethyl-1,2,3,4-tetrahydrobenzo[b][1,6]naphthyridin-2-ium-10-carboxylate

C15H16N2O2 — CID 30079032

IUPAC2,8-dimethyl-1,2,3,4-tetrahydrobenzo[b][1,6]naphthyridin-2-ium-10-carboxylate
SMILESCc1ccc2nc3c(c(C(=O)[O-])c2c1)C[NH+](C)CC3
InChIInChI=1S/C15H16N2O2/c1-9-3-4-12-10(7-9)14(15(18)19)11-8-17(2)6-5-13(11)16-12/h3-4,7H,5-6,8H2,1-2H3,(H,18,19)
InChIKeyGUZBATXUBDPOFX-UHFFFAOYSA-N
MW256.31 g/mol
LogP-0.52
Rot. Bonds1

About 2,8-dimethyl-1,2,3,4-tetrahydrobenzo[b][1,6]naphthyridin-2-ium-10-carboxylate

2,8-dimethyl-1,2,3,4-tetrahydrobenzo[b][1,6]naphthyridin-2-ium-10-carboxylate (PubChem CID 30079032) has the molecular formula C15H16N2O2 and a molecular weight of 256.31 g/mol. Its IUPAC name is 2,8-dimethyl-1,2,3,4-tetrahydrobenzo[b][1,6]naphthyridin-2-ium-10-carboxylate.

Molecular Properties

Compound Name2,8-dimethyl-1,2,3,4-tetrahydrobenzo[b][1,6]naphthyridin-2-ium-10-carboxylate
PubChem CID30079032
Molecular FormulaC15H16N2O2
Molecular Weight256.31 g/mol
Exact Mass256.12
IUPAC Name2,8-dimethyl-1,2,3,4-tetrahydrobenzo[b][1,6]naphthyridin-2-ium-10-carboxylate
SMILESCc1ccc2nc3c(c(C(=O)[O-])c2c1)C[NH+](C)CC3
InChIInChI=1S/C15H16N2O2/c1-9-3-4-12-10(7-9)14(15(18)19)11-8-17(2)6-5-13(11)16-12/h3-4,7H,5-6,8H2,1-2H3,(H,18,19)
InChIKeyGUZBATXUBDPOFX-UHFFFAOYSA-N
XLogP-0.52
TPSA57.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 5-0.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2,8-dimethyl-1,2,3,4-tetrahydrobenzo[b][1,6]naphthyridin-2-ium-10-carboxylate with MolForge

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Related Compounds

7-methyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid
CID 752870
(2S)-2,7-dimethyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid
CID 865217
[(1S)-2-(2,5-dimethylanilino)-2-oxo-1-phenylethyl] 2-methyl-1,2,3,4-tetrahydrobenzo[b][1,6]naphthyridin-2-ium-10-carboxylate
CID 2424753
propan-2-yl 7-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate
CID 16600366
N-ethyl-8-methyl-1,2,3,4-tetrahydrobenzo[b][1,6]naphthyridine-10-carboxamide
CID 110489454
7-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1,2,3,4-tetrahydroacridine-9-carboxamide
CID 26197572
2-ethyl-8-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carbohydrazide
CID 82450420
(4-methylsulfonylpiperazin-1-yl)-(7-methyl-1,2,3,4-tetrahydroacridin-9-yl)methanone
CID 134025112
3,3,7-trimethyl-1,2-dihydrocyclopenta[b]quinoline-9-carboxylic acid
CID 79864557
(5-ethyl-1,3,4-oxadiazol-2-yl)methyl 7-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate
CID 18138403
[2-(2,6-dichloroanilino)-2-oxoethyl] 2-methyl-1,2,3,4-tetrahydrobenzo[b][1,6]naphthyridin-2-ium-10-carboxylate
CID 2387343
[2-(furan-2-ylmethylamino)-2-oxoethyl] 2-methyl-1,2,3,4-tetrahydrobenzo[b][1,6]naphthyridin-2-ium-10-carboxylate
CID 2420189

Frequently Asked Questions

What is the IUPAC name of 2,8-dimethyl-1,2,3,4-tetrahydrobenzo[b][1,6]naphthyridin-2-ium-10-carboxylate?
The IUPAC name of 2,8-dimethyl-1,2,3,4-tetrahydrobenzo[b][1,6]naphthyridin-2-ium-10-carboxylate (CID 30079032) is 2,8-dimethyl-1,2,3,4-tetrahydrobenzo[b][1,6]naphthyridin-2-ium-10-carboxylate.
What is the SMILES notation for 2,8-dimethyl-1,2,3,4-tetrahydrobenzo[b][1,6]naphthyridin-2-ium-10-carboxylate?
The canonical SMILES for 2,8-dimethyl-1,2,3,4-tetrahydrobenzo[b][1,6]naphthyridin-2-ium-10-carboxylate is Cc1ccc2nc3c(c(C(=O)[O-])c2c1)C[NH+](C)CC3.
What is the InChIKey of 2,8-dimethyl-1,2,3,4-tetrahydrobenzo[b][1,6]naphthyridin-2-ium-10-carboxylate?
The InChIKey is GUZBATXUBDPOFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2/c1-9-3-4-12-10(7-9)14(15(18)19)11-8-17(2)6-5-13(11)16-12/h3-4,7H,5-6,8H2,1-2H3,(H,18,19).
What are the key properties of 2,8-dimethyl-1,2,3,4-tetrahydrobenzo[b][1,6]naphthyridin-2-ium-10-carboxylate?
2,8-dimethyl-1,2,3,4-tetrahydrobenzo[b][1,6]naphthyridin-2-ium-10-carboxylate has a molecular weight of 256.31 g/mol, XLogP of -0.52, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,8-dimethyl-1,2,3,4-tetrahydrobenzo[b][1,6]naphthyridin-2-ium-10-carboxylate is sourced from PubChem (CID 30079032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).