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

C16H17BrN2O2 — CID 18072460

IUPAC7-bromo-2-propyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxylic acid
SMILESCCCN1CCc2nc3cc(Br)ccc3c(C(=O)O)c2C1
InChIInChI=1S/C16H17BrN2O2/c1-2-6-19-7-5-13-12(9-19)15(16(20)21)11-4-3-10(17)8-14(11)18-13/h3-4,8H,2,5-7,9H2,1H3,(H,20,21)
InChIKeyGCNOJXYBKXAWNL-UHFFFAOYSA-N
MW349.23 g/mol
LogP3.46
Rot. Bonds3

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

7-bromo-2-propyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxylic acid (PubChem CID 18072460) has the molecular formula C16H17BrN2O2 and a molecular weight of 349.23 g/mol. Its IUPAC name is 7-bromo-2-propyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxylic acid.

Molecular Properties

Compound Name7-bromo-2-propyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxylic acid
PubChem CID18072460
Molecular FormulaC16H17BrN2O2
Molecular Weight349.23 g/mol
Exact Mass348.05
IUPAC Name7-bromo-2-propyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxylic acid
SMILESCCCN1CCc2nc3cc(Br)ccc3c(C(=O)O)c2C1
InChIInChI=1S/C16H17BrN2O2/c1-2-6-19-7-5-13-12(9-19)15(16(20)21)11-4-3-10(17)8-14(11)18-13/h3-4,8H,2,5-7,9H2,1H3,(H,20,21)
InChIKeyGCNOJXYBKXAWNL-UHFFFAOYSA-N
XLogP3.46
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.23
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 7-bromo-2-propyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-bromo-2-propyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxylic acid?
The IUPAC name of 7-bromo-2-propyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxylic acid (CID 18072460) is 7-bromo-2-propyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxylic acid.
What is the SMILES notation for 7-bromo-2-propyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxylic acid?
The canonical SMILES for 7-bromo-2-propyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxylic acid is CCCN1CCc2nc3cc(Br)ccc3c(C(=O)O)c2C1.
What is the InChIKey of 7-bromo-2-propyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxylic acid?
The InChIKey is GCNOJXYBKXAWNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2O2/c1-2-6-19-7-5-13-12(9-19)15(16(20)21)11-4-3-10(17)8-14(11)18-13/h3-4,8H,2,5-7,9H2,1H3,(H,20,21).
What are the key properties of 7-bromo-2-propyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxylic acid?
7-bromo-2-propyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxylic acid has a molecular weight of 349.23 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-2-propyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxylic acid is sourced from PubChem (CID 18072460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).