4-(3-methoxyphenyl)-2-oxo-1-(3-phenylmethoxypropyl)-1,8-naphthyridine-3-carboxylic acid

C26H24N2O5 — CID 22106053

IUPAC4-(3-methoxyphenyl)-2-oxo-1-(3-phenylmethoxypropyl)-1,8-naphthyridine-3-carboxylic acid
SMILESCOc1cccc(-c2c(C(=O)O)c(=O)n(CCCOCc3ccccc3)c3ncccc23)c1
InChIInChI=1S/C26H24N2O5/c1-32-20-11-5-10-19(16-20)22-21-12-6-13-27-24(21)28(25(29)23(22)26(30)31)14-7-15-33-17-18-8-3-2-4-9-18/h2-6,8-13,16H,7,14-15,17H2,1H3,(H,30,31)
InChIKeyTWMCREOFGZRXGR-UHFFFAOYSA-N
MW444.49 g/mol
LogP4.38
Rot. Bonds9

About 4-(3-methoxyphenyl)-2-oxo-1-(3-phenylmethoxypropyl)-1,8-naphthyridine-3-carboxylic acid

4-(3-methoxyphenyl)-2-oxo-1-(3-phenylmethoxypropyl)-1,8-naphthyridine-3-carboxylic acid (PubChem CID 22106053) has the molecular formula C26H24N2O5 and a molecular weight of 444.49 g/mol. Its IUPAC name is 4-(3-methoxyphenyl)-2-oxo-1-(3-phenylmethoxypropyl)-1,8-naphthyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-(3-methoxyphenyl)-2-oxo-1-(3-phenylmethoxypropyl)-1,8-naphthyridine-3-carboxylic acid
PubChem CID22106053
Molecular FormulaC26H24N2O5
Molecular Weight444.49 g/mol
Exact Mass444.17
IUPAC Name4-(3-methoxyphenyl)-2-oxo-1-(3-phenylmethoxypropyl)-1,8-naphthyridine-3-carboxylic acid
SMILESCOc1cccc(-c2c(C(=O)O)c(=O)n(CCCOCc3ccccc3)c3ncccc23)c1
InChIInChI=1S/C26H24N2O5/c1-32-20-11-5-10-19(16-20)22-21-12-6-13-27-24(21)28(25(29)23(22)26(30)31)14-7-15-33-17-18-8-3-2-4-9-18/h2-6,8-13,16H,7,14-15,17H2,1H3,(H,30,31)
InChIKeyTWMCREOFGZRXGR-UHFFFAOYSA-N
XLogP4.38
TPSA90.65 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.49
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxyphenyl)-2-oxo-1-(3-phenylmethoxypropyl)-1,8-naphthyridine-3-carboxylic acid?
The IUPAC name of 4-(3-methoxyphenyl)-2-oxo-1-(3-phenylmethoxypropyl)-1,8-naphthyridine-3-carboxylic acid (CID 22106053) is 4-(3-methoxyphenyl)-2-oxo-1-(3-phenylmethoxypropyl)-1,8-naphthyridine-3-carboxylic acid.
What is the SMILES notation for 4-(3-methoxyphenyl)-2-oxo-1-(3-phenylmethoxypropyl)-1,8-naphthyridine-3-carboxylic acid?
The canonical SMILES for 4-(3-methoxyphenyl)-2-oxo-1-(3-phenylmethoxypropyl)-1,8-naphthyridine-3-carboxylic acid is COc1cccc(-c2c(C(=O)O)c(=O)n(CCCOCc3ccccc3)c3ncccc23)c1.
What is the InChIKey of 4-(3-methoxyphenyl)-2-oxo-1-(3-phenylmethoxypropyl)-1,8-naphthyridine-3-carboxylic acid?
The InChIKey is TWMCREOFGZRXGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O5/c1-32-20-11-5-10-19(16-20)22-21-12-6-13-27-24(21)28(25(29)23(22)26(30)31)14-7-15-33-17-18-8-3-2-4-9-18/h2-6,8-13,16H,7,14-15,17H2,1H3,(H,30,31).
What are the key properties of 4-(3-methoxyphenyl)-2-oxo-1-(3-phenylmethoxypropyl)-1,8-naphthyridine-3-carboxylic acid?
4-(3-methoxyphenyl)-2-oxo-1-(3-phenylmethoxypropyl)-1,8-naphthyridine-3-carboxylic acid has a molecular weight of 444.49 g/mol, XLogP of 4.38, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxyphenyl)-2-oxo-1-(3-phenylmethoxypropyl)-1,8-naphthyridine-3-carboxylic acid is sourced from PubChem (CID 22106053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).