7-(2-methoxyethyl)-3-phenyl-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid

C18H20N2O3 — CID 97463669

IUPAC7-(2-methoxyethyl)-3-phenyl-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid
SMILESCOCCN1CCc2c(cnc(-c3ccccc3)c2C(=O)O)C1
InChIInChI=1S/C18H20N2O3/c1-23-10-9-20-8-7-15-14(12-20)11-19-17(16(15)18(21)22)13-5-3-2-4-6-13/h2-6,11H,7-10,12H2,1H3,(H,21,22)
InChIKeyIXJDRVBVKQLSSS-UHFFFAOYSA-N
MW312.37 g/mol
LogP2.45
Rot. Bonds5

About 7-(2-methoxyethyl)-3-phenyl-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid

7-(2-methoxyethyl)-3-phenyl-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid (PubChem CID 97463669) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is 7-(2-methoxyethyl)-3-phenyl-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid.

Molecular Properties

Compound Name7-(2-methoxyethyl)-3-phenyl-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid
PubChem CID97463669
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC Name7-(2-methoxyethyl)-3-phenyl-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid
SMILESCOCCN1CCc2c(cnc(-c3ccccc3)c2C(=O)O)C1
InChIInChI=1S/C18H20N2O3/c1-23-10-9-20-8-7-15-14(12-20)11-19-17(16(15)18(21)22)13-5-3-2-4-6-13/h2-6,11H,7-10,12H2,1H3,(H,21,22)
InChIKeyIXJDRVBVKQLSSS-UHFFFAOYSA-N
XLogP2.45
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-(2-methoxyethyl)-3-phenyl-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid?
The IUPAC name of 7-(2-methoxyethyl)-3-phenyl-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid (CID 97463669) is 7-(2-methoxyethyl)-3-phenyl-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid.
What is the SMILES notation for 7-(2-methoxyethyl)-3-phenyl-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid?
The canonical SMILES for 7-(2-methoxyethyl)-3-phenyl-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid is COCCN1CCc2c(cnc(-c3ccccc3)c2C(=O)O)C1.
What is the InChIKey of 7-(2-methoxyethyl)-3-phenyl-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid?
The InChIKey is IXJDRVBVKQLSSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3/c1-23-10-9-20-8-7-15-14(12-20)11-19-17(16(15)18(21)22)13-5-3-2-4-6-13/h2-6,11H,7-10,12H2,1H3,(H,21,22).
What are the key properties of 7-(2-methoxyethyl)-3-phenyl-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid?
7-(2-methoxyethyl)-3-phenyl-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid has a molecular weight of 312.37 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-methoxyethyl)-3-phenyl-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid is sourced from PubChem (CID 97463669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).