6-(1-ethoxyethyl)-8-[3-methyl-4-[(2R)-2-methylmorpholin-4-yl]anilino]-2H-2,7-naphthyridin-1-one

C24H30N4O3 — CID 58167282

IUPAC6-(1-ethoxyethyl)-8-[3-methyl-4-[(2R)-2-methylmorpholin-4-yl]anilino]-2H-2,7-naphthyridin-1-one
SMILESCCOC(C)c1cc2cc[nH]c(=O)c2c(Nc2ccc(N3CCO[C@H](C)C3)c(C)c2)n1
InChIInChI=1S/C24H30N4O3/c1-5-30-17(4)20-13-18-8-9-25-24(29)22(18)23(27-20)26-19-6-7-21(15(2)12-19)28-10-11-31-16(3)14-28/h6-9,12-13,16-17H,5,10-11,14H2,1-4H3,(H,25,29)(H,26,27)/t16-,17?/m1/s1
InChIKeyYJILQVPDMXGPDO-TZHYSIJRSA-N
MW422.53 g/mol
LogP4.30
Rot. Bonds6

About 6-(1-ethoxyethyl)-8-[3-methyl-4-[(2R)-2-methylmorpholin-4-yl]anilino]-2H-2,7-naphthyridin-1-one

6-(1-ethoxyethyl)-8-[3-methyl-4-[(2R)-2-methylmorpholin-4-yl]anilino]-2H-2,7-naphthyridin-1-one (PubChem CID 58167282) has the molecular formula C24H30N4O3 and a molecular weight of 422.53 g/mol. Its IUPAC name is 6-(1-ethoxyethyl)-8-[3-methyl-4-[(2R)-2-methylmorpholin-4-yl]anilino]-2H-2,7-naphthyridin-1-one.

Molecular Properties

Compound Name6-(1-ethoxyethyl)-8-[3-methyl-4-[(2R)-2-methylmorpholin-4-yl]anilino]-2H-2,7-naphthyridin-1-one
PubChem CID58167282
Molecular FormulaC24H30N4O3
Molecular Weight422.53 g/mol
Exact Mass422.23
IUPAC Name6-(1-ethoxyethyl)-8-[3-methyl-4-[(2R)-2-methylmorpholin-4-yl]anilino]-2H-2,7-naphthyridin-1-one
SMILESCCOC(C)c1cc2cc[nH]c(=O)c2c(Nc2ccc(N3CCO[C@H](C)C3)c(C)c2)n1
InChIInChI=1S/C24H30N4O3/c1-5-30-17(4)20-13-18-8-9-25-24(29)22(18)23(27-20)26-19-6-7-21(15(2)12-19)28-10-11-31-16(3)14-28/h6-9,12-13,16-17H,5,10-11,14H2,1-4H3,(H,25,29)(H,26,27)/t16-,17?/m1/s1
InChIKeyYJILQVPDMXGPDO-TZHYSIJRSA-N
XLogP4.30
TPSA79.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.53
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(1-ethoxyethyl)-8-[3-methyl-4-[(2R)-2-methylmorpholin-4-yl]anilino]-2H-2,7-naphthyridin-1-one?
The IUPAC name of 6-(1-ethoxyethyl)-8-[3-methyl-4-[(2R)-2-methylmorpholin-4-yl]anilino]-2H-2,7-naphthyridin-1-one (CID 58167282) is 6-(1-ethoxyethyl)-8-[3-methyl-4-[(2R)-2-methylmorpholin-4-yl]anilino]-2H-2,7-naphthyridin-1-one.
What is the SMILES notation for 6-(1-ethoxyethyl)-8-[3-methyl-4-[(2R)-2-methylmorpholin-4-yl]anilino]-2H-2,7-naphthyridin-1-one?
The canonical SMILES for 6-(1-ethoxyethyl)-8-[3-methyl-4-[(2R)-2-methylmorpholin-4-yl]anilino]-2H-2,7-naphthyridin-1-one is CCOC(C)c1cc2cc[nH]c(=O)c2c(Nc2ccc(N3CCO[C@H](C)C3)c(C)c2)n1.
What is the InChIKey of 6-(1-ethoxyethyl)-8-[3-methyl-4-[(2R)-2-methylmorpholin-4-yl]anilino]-2H-2,7-naphthyridin-1-one?
The InChIKey is YJILQVPDMXGPDO-TZHYSIJRSA-N. The full InChI is InChI=1S/C24H30N4O3/c1-5-30-17(4)20-13-18-8-9-25-24(29)22(18)23(27-20)26-19-6-7-21(15(2)12-19)28-10-11-31-16(3)14-28/h6-9,12-13,16-17H,5,10-11,14H2,1-4H3,(H,25,29)(H,26,27)/t16-,17?/m1/s1.
What are the key properties of 6-(1-ethoxyethyl)-8-[3-methyl-4-[(2R)-2-methylmorpholin-4-yl]anilino]-2H-2,7-naphthyridin-1-one?
6-(1-ethoxyethyl)-8-[3-methyl-4-[(2R)-2-methylmorpholin-4-yl]anilino]-2H-2,7-naphthyridin-1-one has a molecular weight of 422.53 g/mol, XLogP of 4.30, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-ethoxyethyl)-8-[3-methyl-4-[(2R)-2-methylmorpholin-4-yl]anilino]-2H-2,7-naphthyridin-1-one is sourced from PubChem (CID 58167282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).