6-(3,6-dihydro-2H-pyran-4-yl)-8-(4-morpholin-4-ylanilino)-2H-2,7-naphthyridin-1-one

C23H24N4O3 — CID 58166613

IUPAC6-(3,6-dihydro-2H-pyran-4-yl)-8-(4-morpholin-4-ylanilino)-2H-2,7-naphthyridin-1-one
SMILESO=c1[nH]ccc2cc(C3=CCOCC3)nc(Nc3ccc(N4CCOCC4)cc3)c12
InChIInChI=1S/C23H24N4O3/c28-23-21-17(5-8-24-23)15-20(16-6-11-29-12-7-16)26-22(21)25-18-1-3-19(4-2-18)27-9-13-30-14-10-27/h1-6,8,15H,7,9-14H2,(H,24,28)(H,25,26)
InChIKeyKBDIXUDUVDJEKY-UHFFFAOYSA-N
MW404.47 g/mol
LogP3.31
Rot. Bonds4

About 6-(3,6-dihydro-2H-pyran-4-yl)-8-(4-morpholin-4-ylanilino)-2H-2,7-naphthyridin-1-one

6-(3,6-dihydro-2H-pyran-4-yl)-8-(4-morpholin-4-ylanilino)-2H-2,7-naphthyridin-1-one (PubChem CID 58166613) has the molecular formula C23H24N4O3 and a molecular weight of 404.47 g/mol. Its IUPAC name is 6-(3,6-dihydro-2H-pyran-4-yl)-8-(4-morpholin-4-ylanilino)-2H-2,7-naphthyridin-1-one.

Molecular Properties

Compound Name6-(3,6-dihydro-2H-pyran-4-yl)-8-(4-morpholin-4-ylanilino)-2H-2,7-naphthyridin-1-one
PubChem CID58166613
Molecular FormulaC23H24N4O3
Molecular Weight404.47 g/mol
Exact Mass404.18
IUPAC Name6-(3,6-dihydro-2H-pyran-4-yl)-8-(4-morpholin-4-ylanilino)-2H-2,7-naphthyridin-1-one
SMILESO=c1[nH]ccc2cc(C3=CCOCC3)nc(Nc3ccc(N4CCOCC4)cc3)c12
InChIInChI=1S/C23H24N4O3/c28-23-21-17(5-8-24-23)15-20(16-6-11-29-12-7-16)26-22(21)25-18-1-3-19(4-2-18)27-9-13-30-14-10-27/h1-6,8,15H,7,9-14H2,(H,24,28)(H,25,26)
InChIKeyKBDIXUDUVDJEKY-UHFFFAOYSA-N
XLogP3.31
TPSA79.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 6-(3,6-dihydro-2H-pyran-4-yl)-8-(4-morpholin-4-ylanilino)-2H-2,7-naphthyridin-1-one with MolForge

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Launch Full Analysis

Related Compounds

6-(1-methylpyrazol-3-yl)-8-(4-morpholin-4-ylanilino)-2H-2,7-naphthyridin-1-one
CID 66887661
6-chloro-8-(4-morpholin-4-ylanilino)-2H-2,7-naphthyridin-1-one
CID 86649544
6-(6-fluoro-3-pyridinyl)-8-(4-morpholin-4-ylanilino)-2H-2,7-naphthyridin-1-one
CID 58093889
6-(2-amino-6-methylpyrimidin-4-yl)-8-(4-morpholin-4-ylanilino)-2H-2,7-naphthyridin-1-one
CID 58093783
6-(4-methyl-3-pyridinyl)-8-(4-morpholin-4-ylanilino)-2H-2,7-naphthyridin-1-one
CID 58094050
6-(6-butyl-2-pyridinyl)-8-(4-morpholin-4-ylanilino)-2H-2,7-naphthyridin-1-one
CID 58093812
6-(2-methyl-3-methylsulfinylphenyl)-8-(4-morpholin-4-ylanilino)-2H-2,7-naphthyridin-1-one
CID 58093617
6-[(3aS,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-8-(4-morpholin-4-ylanilino)-2H-2,7-naphthyridin-1-one
CID 66887642
6-(3-aminosulfanyl-4-methoxyphenyl)-8-(4-morpholin-4-ylanilino)-2H-2,7-naphthyridin-1-one
CID 143841233
8-(4-morpholin-4-ylanilino)-6-(pyridin-2-ylamino)-2H-2,7-naphthyridin-1-one
CID 50925324
ethyl 4-[1-(4-morpholin-4-ylanilino)-8-oxo-7H-2,7-naphthyridin-3-yl]-1,3-thiazole-2-carboxylate
CID 58094082
2-tert-butyl-5-[1-(4-morpholin-4-ylanilino)-8-oxo-7H-2,7-naphthyridin-3-yl]pyridine-3-carboxamide
CID 174612371

Frequently Asked Questions

What is the IUPAC name of 6-(3,6-dihydro-2H-pyran-4-yl)-8-(4-morpholin-4-ylanilino)-2H-2,7-naphthyridin-1-one?
The IUPAC name of 6-(3,6-dihydro-2H-pyran-4-yl)-8-(4-morpholin-4-ylanilino)-2H-2,7-naphthyridin-1-one (CID 58166613) is 6-(3,6-dihydro-2H-pyran-4-yl)-8-(4-morpholin-4-ylanilino)-2H-2,7-naphthyridin-1-one.
What is the SMILES notation for 6-(3,6-dihydro-2H-pyran-4-yl)-8-(4-morpholin-4-ylanilino)-2H-2,7-naphthyridin-1-one?
The canonical SMILES for 6-(3,6-dihydro-2H-pyran-4-yl)-8-(4-morpholin-4-ylanilino)-2H-2,7-naphthyridin-1-one is O=c1[nH]ccc2cc(C3=CCOCC3)nc(Nc3ccc(N4CCOCC4)cc3)c12.
What is the InChIKey of 6-(3,6-dihydro-2H-pyran-4-yl)-8-(4-morpholin-4-ylanilino)-2H-2,7-naphthyridin-1-one?
The InChIKey is KBDIXUDUVDJEKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O3/c28-23-21-17(5-8-24-23)15-20(16-6-11-29-12-7-16)26-22(21)25-18-1-3-19(4-2-18)27-9-13-30-14-10-27/h1-6,8,15H,7,9-14H2,(H,24,28)(H,25,26).
What are the key properties of 6-(3,6-dihydro-2H-pyran-4-yl)-8-(4-morpholin-4-ylanilino)-2H-2,7-naphthyridin-1-one?
6-(3,6-dihydro-2H-pyran-4-yl)-8-(4-morpholin-4-ylanilino)-2H-2,7-naphthyridin-1-one has a molecular weight of 404.47 g/mol, XLogP of 3.31, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,6-dihydro-2H-pyran-4-yl)-8-(4-morpholin-4-ylanilino)-2H-2,7-naphthyridin-1-one is sourced from PubChem (CID 58166613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).