5,11-dihydronaphtho[2,3-b][1,6]naphthyridine-12-carboxylic acid

C17H12N2O2 — CID 10683849

IUPAC5,11-dihydronaphtho[2,3-b][1,6]naphthyridine-12-carboxylic acid
SMILESO=C(O)C1=C2Cc3ccccc3C=C2Nc2ccncc21
InChIInChI=1S/C17H12N2O2/c20-17(21)16-12-7-10-3-1-2-4-11(10)8-15(12)19-14-5-6-18-9-13(14)16/h1-6,8-9,19H,7H2,(H,20,21)
InChIKeyHVCLTTJAGQWYDY-UHFFFAOYSA-N
MW276.30 g/mol
LogP2.94
Rot. Bonds1

About 5,11-dihydronaphtho[2,3-b][1,6]naphthyridine-12-carboxylic acid

5,11-dihydronaphtho[2,3-b][1,6]naphthyridine-12-carboxylic acid (PubChem CID 10683849) has the molecular formula C17H12N2O2 and a molecular weight of 276.30 g/mol. Its IUPAC name is 5,11-dihydronaphtho[2,3-b][1,6]naphthyridine-12-carboxylic acid.

Molecular Properties

Compound Name5,11-dihydronaphtho[2,3-b][1,6]naphthyridine-12-carboxylic acid
PubChem CID10683849
Molecular FormulaC17H12N2O2
Molecular Weight276.30 g/mol
Exact Mass276.09
IUPAC Name5,11-dihydronaphtho[2,3-b][1,6]naphthyridine-12-carboxylic acid
SMILESO=C(O)C1=C2Cc3ccccc3C=C2Nc2ccncc21
InChIInChI=1S/C17H12N2O2/c20-17(21)16-12-7-10-3-1-2-4-11(10)8-15(12)19-14-5-6-18-9-13(14)16/h1-6,8-9,19H,7H2,(H,20,21)
InChIKeyHVCLTTJAGQWYDY-UHFFFAOYSA-N
XLogP2.94
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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9H-indeno[2,1-c]pyridine
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5,6-dihydrobenzo[c][2,6]naphthyridine
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3-(2-fluorophenyl)pyridine-4-carboxylic acid
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CID 22620474

Frequently Asked Questions

What is the IUPAC name of 5,11-dihydronaphtho[2,3-b][1,6]naphthyridine-12-carboxylic acid?
The IUPAC name of 5,11-dihydronaphtho[2,3-b][1,6]naphthyridine-12-carboxylic acid (CID 10683849) is 5,11-dihydronaphtho[2,3-b][1,6]naphthyridine-12-carboxylic acid.
What is the SMILES notation for 5,11-dihydronaphtho[2,3-b][1,6]naphthyridine-12-carboxylic acid?
The canonical SMILES for 5,11-dihydronaphtho[2,3-b][1,6]naphthyridine-12-carboxylic acid is O=C(O)C1=C2Cc3ccccc3C=C2Nc2ccncc21.
What is the InChIKey of 5,11-dihydronaphtho[2,3-b][1,6]naphthyridine-12-carboxylic acid?
The InChIKey is HVCLTTJAGQWYDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N2O2/c20-17(21)16-12-7-10-3-1-2-4-11(10)8-15(12)19-14-5-6-18-9-13(14)16/h1-6,8-9,19H,7H2,(H,20,21).
What are the key properties of 5,11-dihydronaphtho[2,3-b][1,6]naphthyridine-12-carboxylic acid?
5,11-dihydronaphtho[2,3-b][1,6]naphthyridine-12-carboxylic acid has a molecular weight of 276.30 g/mol, XLogP of 2.94, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,11-dihydronaphtho[2,3-b][1,6]naphthyridine-12-carboxylic acid is sourced from PubChem (CID 10683849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).