2-methoxy-4-[(5-oxo-2-phenyl-7,8-dihydro-6H-1,6-naphthyridin-4-yl)amino]benzoic acid

C22H19N3O4 — CID 53494261

IUPAC2-methoxy-4-[(5-oxo-2-phenyl-7,8-dihydro-6H-1,6-naphthyridin-4-yl)amino]benzoic acid
SMILESCOc1cc(Nc2cc(-c3ccccc3)nc3c2C(=O)NCC3)ccc1C(=O)O
InChIInChI=1S/C22H19N3O4/c1-29-19-11-14(7-8-15(19)22(27)28)24-18-12-17(13-5-3-2-4-6-13)25-16-9-10-23-21(26)20(16)18/h2-8,11-12H,9-10H2,1H3,(H,23,26)(H,24,25)(H,27,28)
InChIKeySKRZEXBPEPMKCF-UHFFFAOYSA-N
MW389.41 g/mol
LogP3.48
Rot. Bonds5

About 2-methoxy-4-[(5-oxo-2-phenyl-7,8-dihydro-6H-1,6-naphthyridin-4-yl)amino]benzoic acid

2-methoxy-4-[(5-oxo-2-phenyl-7,8-dihydro-6H-1,6-naphthyridin-4-yl)amino]benzoic acid (PubChem CID 53494261) has the molecular formula C22H19N3O4 and a molecular weight of 389.41 g/mol. Its IUPAC name is 2-methoxy-4-[(5-oxo-2-phenyl-7,8-dihydro-6H-1,6-naphthyridin-4-yl)amino]benzoic acid.

Molecular Properties

Compound Name2-methoxy-4-[(5-oxo-2-phenyl-7,8-dihydro-6H-1,6-naphthyridin-4-yl)amino]benzoic acid
PubChem CID53494261
Molecular FormulaC22H19N3O4
Molecular Weight389.41 g/mol
Exact Mass389.14
IUPAC Name2-methoxy-4-[(5-oxo-2-phenyl-7,8-dihydro-6H-1,6-naphthyridin-4-yl)amino]benzoic acid
SMILESCOc1cc(Nc2cc(-c3ccccc3)nc3c2C(=O)NCC3)ccc1C(=O)O
InChIInChI=1S/C22H19N3O4/c1-29-19-11-14(7-8-15(19)22(27)28)24-18-12-17(13-5-3-2-4-6-13)25-16-9-10-23-21(26)20(16)18/h2-8,11-12H,9-10H2,1H3,(H,23,26)(H,24,25)(H,27,28)
InChIKeySKRZEXBPEPMKCF-UHFFFAOYSA-N
XLogP3.48
TPSA100.55 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.41
LogP ≤ 53.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-[(5-oxo-2-phenyl-7,8-dihydro-6H-1,6-naphthyridin-4-yl)amino]benzoic acid?
The IUPAC name of 2-methoxy-4-[(5-oxo-2-phenyl-7,8-dihydro-6H-1,6-naphthyridin-4-yl)amino]benzoic acid (CID 53494261) is 2-methoxy-4-[(5-oxo-2-phenyl-7,8-dihydro-6H-1,6-naphthyridin-4-yl)amino]benzoic acid.
What is the SMILES notation for 2-methoxy-4-[(5-oxo-2-phenyl-7,8-dihydro-6H-1,6-naphthyridin-4-yl)amino]benzoic acid?
The canonical SMILES for 2-methoxy-4-[(5-oxo-2-phenyl-7,8-dihydro-6H-1,6-naphthyridin-4-yl)amino]benzoic acid is COc1cc(Nc2cc(-c3ccccc3)nc3c2C(=O)NCC3)ccc1C(=O)O.
What is the InChIKey of 2-methoxy-4-[(5-oxo-2-phenyl-7,8-dihydro-6H-1,6-naphthyridin-4-yl)amino]benzoic acid?
The InChIKey is SKRZEXBPEPMKCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O4/c1-29-19-11-14(7-8-15(19)22(27)28)24-18-12-17(13-5-3-2-4-6-13)25-16-9-10-23-21(26)20(16)18/h2-8,11-12H,9-10H2,1H3,(H,23,26)(H,24,25)(H,27,28).
What are the key properties of 2-methoxy-4-[(5-oxo-2-phenyl-7,8-dihydro-6H-1,6-naphthyridin-4-yl)amino]benzoic acid?
2-methoxy-4-[(5-oxo-2-phenyl-7,8-dihydro-6H-1,6-naphthyridin-4-yl)amino]benzoic acid has a molecular weight of 389.41 g/mol, XLogP of 3.48, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-[(5-oxo-2-phenyl-7,8-dihydro-6H-1,6-naphthyridin-4-yl)amino]benzoic acid is sourced from PubChem (CID 53494261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).