2-[1-(6-methyl-2-morpholin-4-yl-4-oxo-1H-1,7-naphthyridin-8-yl)ethylamino]benzoic acid

C22H24N4O4 — CID 171520548

IUPAC2-[1-(6-methyl-2-morpholin-4-yl-4-oxo-1H-1,7-naphthyridin-8-yl)ethylamino]benzoic acid
SMILESCc1cc2c(=O)cc(N3CCOCC3)[nH]c2c(C(C)Nc2ccccc2C(=O)O)n1
InChIInChI=1S/C22H24N4O4/c1-13-11-16-18(27)12-19(26-7-9-30-10-8-26)25-21(16)20(23-13)14(2)24-17-6-4-3-5-15(17)22(28)29/h3-6,11-12,14,24H,7-10H2,1-2H3,(H,25,27)(H,28,29)
InChIKeyCAYJRURFSVZKFX-UHFFFAOYSA-N
MW408.46 g/mol
LogP2.94
Rot. Bonds5

About 2-[1-(6-methyl-2-morpholin-4-yl-4-oxo-1H-1,7-naphthyridin-8-yl)ethylamino]benzoic acid

2-[1-(6-methyl-2-morpholin-4-yl-4-oxo-1H-1,7-naphthyridin-8-yl)ethylamino]benzoic acid (PubChem CID 171520548) has the molecular formula C22H24N4O4 and a molecular weight of 408.46 g/mol. Its IUPAC name is 2-[1-(6-methyl-2-morpholin-4-yl-4-oxo-1H-1,7-naphthyridin-8-yl)ethylamino]benzoic acid.

Molecular Properties

Compound Name2-[1-(6-methyl-2-morpholin-4-yl-4-oxo-1H-1,7-naphthyridin-8-yl)ethylamino]benzoic acid
PubChem CID171520548
Molecular FormulaC22H24N4O4
Molecular Weight408.46 g/mol
Exact Mass408.18
IUPAC Name2-[1-(6-methyl-2-morpholin-4-yl-4-oxo-1H-1,7-naphthyridin-8-yl)ethylamino]benzoic acid
SMILESCc1cc2c(=O)cc(N3CCOCC3)[nH]c2c(C(C)Nc2ccccc2C(=O)O)n1
InChIInChI=1S/C22H24N4O4/c1-13-11-16-18(27)12-19(26-7-9-30-10-8-26)25-21(16)20(23-13)14(2)24-17-6-4-3-5-15(17)22(28)29/h3-6,11-12,14,24H,7-10H2,1-2H3,(H,25,27)(H,28,29)
InChIKeyCAYJRURFSVZKFX-UHFFFAOYSA-N
XLogP2.94
TPSA107.55 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.46
LogP ≤ 52.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(6-methyl-2-morpholin-4-yl-4-oxo-1H-1,7-naphthyridin-8-yl)ethylamino]benzoic acid?
The IUPAC name of 2-[1-(6-methyl-2-morpholin-4-yl-4-oxo-1H-1,7-naphthyridin-8-yl)ethylamino]benzoic acid (CID 171520548) is 2-[1-(6-methyl-2-morpholin-4-yl-4-oxo-1H-1,7-naphthyridin-8-yl)ethylamino]benzoic acid.
What is the SMILES notation for 2-[1-(6-methyl-2-morpholin-4-yl-4-oxo-1H-1,7-naphthyridin-8-yl)ethylamino]benzoic acid?
The canonical SMILES for 2-[1-(6-methyl-2-morpholin-4-yl-4-oxo-1H-1,7-naphthyridin-8-yl)ethylamino]benzoic acid is Cc1cc2c(=O)cc(N3CCOCC3)[nH]c2c(C(C)Nc2ccccc2C(=O)O)n1.
What is the InChIKey of 2-[1-(6-methyl-2-morpholin-4-yl-4-oxo-1H-1,7-naphthyridin-8-yl)ethylamino]benzoic acid?
The InChIKey is CAYJRURFSVZKFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O4/c1-13-11-16-18(27)12-19(26-7-9-30-10-8-26)25-21(16)20(23-13)14(2)24-17-6-4-3-5-15(17)22(28)29/h3-6,11-12,14,24H,7-10H2,1-2H3,(H,25,27)(H,28,29).
What are the key properties of 2-[1-(6-methyl-2-morpholin-4-yl-4-oxo-1H-1,7-naphthyridin-8-yl)ethylamino]benzoic acid?
2-[1-(6-methyl-2-morpholin-4-yl-4-oxo-1H-1,7-naphthyridin-8-yl)ethylamino]benzoic acid has a molecular weight of 408.46 g/mol, XLogP of 2.94, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(6-methyl-2-morpholin-4-yl-4-oxo-1H-1,7-naphthyridin-8-yl)ethylamino]benzoic acid is sourced from PubChem (CID 171520548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).