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

C20H18N2O2 — CID 722210

IUPAC2-benzyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxylic acid
SMILESO=C(O)c1c2c(nc3ccccc13)CCN(Cc1ccccc1)C2
InChIInChI=1S/C20H18N2O2/c23-20(24)19-15-8-4-5-9-17(15)21-18-10-11-22(13-16(18)19)12-14-6-2-1-3-7-14/h1-9H,10-13H2,(H,23,24)
InChIKeyWWVSDQYFRSUJAZ-UHFFFAOYSA-N
MW318.38 g/mol
LogP3.49
Rot. Bonds3

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

2-benzyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxylic acid (PubChem CID 722210) has the molecular formula C20H18N2O2 and a molecular weight of 318.38 g/mol. Its IUPAC name is 2-benzyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxylic acid.

Molecular Properties

Compound Name2-benzyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxylic acid
PubChem CID722210
Molecular FormulaC20H18N2O2
Molecular Weight318.38 g/mol
Exact Mass318.14
IUPAC Name2-benzyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxylic acid
SMILESO=C(O)c1c2c(nc3ccccc13)CCN(Cc1ccccc1)C2
InChIInChI=1S/C20H18N2O2/c23-20(24)19-15-8-4-5-9-17(15)21-18-10-11-22(13-16(18)19)12-14-6-2-1-3-7-14/h1-9H,10-13H2,(H,23,24)
InChIKeyWWVSDQYFRSUJAZ-UHFFFAOYSA-N
XLogP3.49
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxylic acid?
The IUPAC name of 2-benzyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxylic acid (CID 722210) is 2-benzyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxylic acid.
What is the SMILES notation for 2-benzyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxylic acid?
The canonical SMILES for 2-benzyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxylic acid is O=C(O)c1c2c(nc3ccccc13)CCN(Cc1ccccc1)C2.
What is the InChIKey of 2-benzyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxylic acid?
The InChIKey is WWVSDQYFRSUJAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O2/c23-20(24)19-15-8-4-5-9-17(15)21-18-10-11-22(13-16(18)19)12-14-6-2-1-3-7-14/h1-9H,10-13H2,(H,23,24).
What are the key properties of 2-benzyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxylic acid?
2-benzyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxylic acid has a molecular weight of 318.38 g/mol, XLogP of 3.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxylic acid is sourced from PubChem (CID 722210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).