6,7-dichloro-2-ethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxylic acid

C15H14Cl2N2O2 — CID 60984693

IUPAC6,7-dichloro-2-ethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxylic acid
SMILESCCN1CCc2nc3c(Cl)c(Cl)ccc3c(C(=O)O)c2C1
InChIInChI=1S/C15H14Cl2N2O2/c1-2-19-6-5-11-9(7-19)12(15(20)21)8-3-4-10(16)13(17)14(8)18-11/h3-4H,2,5-7H2,1H3,(H,20,21)
InChIKeyCAPBDKRGYFOGIB-UHFFFAOYSA-N
MW325.19 g/mol
LogP3.62
Rot. Bonds2

About 6,7-dichloro-2-ethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxylic acid

6,7-dichloro-2-ethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxylic acid (PubChem CID 60984693) has the molecular formula C15H14Cl2N2O2 and a molecular weight of 325.19 g/mol. Its IUPAC name is 6,7-dichloro-2-ethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxylic acid.

Molecular Properties

Compound Name6,7-dichloro-2-ethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxylic acid
PubChem CID60984693
Molecular FormulaC15H14Cl2N2O2
Molecular Weight325.19 g/mol
Exact Mass324.04
IUPAC Name6,7-dichloro-2-ethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxylic acid
SMILESCCN1CCc2nc3c(Cl)c(Cl)ccc3c(C(=O)O)c2C1
InChIInChI=1S/C15H14Cl2N2O2/c1-2-19-6-5-11-9(7-19)12(15(20)21)8-3-4-10(16)13(17)14(8)18-11/h3-4H,2,5-7H2,1H3,(H,20,21)
InChIKeyCAPBDKRGYFOGIB-UHFFFAOYSA-N
XLogP3.62
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.19
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6,7-dichloro-2-ethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxylic acid?
The IUPAC name of 6,7-dichloro-2-ethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxylic acid (CID 60984693) is 6,7-dichloro-2-ethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxylic acid.
What is the SMILES notation for 6,7-dichloro-2-ethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxylic acid?
The canonical SMILES for 6,7-dichloro-2-ethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxylic acid is CCN1CCc2nc3c(Cl)c(Cl)ccc3c(C(=O)O)c2C1.
What is the InChIKey of 6,7-dichloro-2-ethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxylic acid?
The InChIKey is CAPBDKRGYFOGIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2N2O2/c1-2-19-6-5-11-9(7-19)12(15(20)21)8-3-4-10(16)13(17)14(8)18-11/h3-4H,2,5-7H2,1H3,(H,20,21).
What are the key properties of 6,7-dichloro-2-ethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxylic acid?
6,7-dichloro-2-ethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxylic acid has a molecular weight of 325.19 g/mol, XLogP of 3.62, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dichloro-2-ethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxylic acid is sourced from PubChem (CID 60984693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).