7-[[1-(4-morpholin-4-ylanilino)-8-oxo-7H-2,7-naphthyridin-3-yl]amino]-4H-1,4-benzoxazin-3-one

C26H24N6O4 — CID 66888308

IUPAC7-[[1-(4-morpholin-4-ylanilino)-8-oxo-7H-2,7-naphthyridin-3-yl]amino]-4H-1,4-benzoxazin-3-one
SMILESO=C1COc2cc(Nc3cc4cc[nH]c(=O)c4c(Nc4ccc(N5CCOCC5)cc4)n3)ccc2N1
InChIInChI=1S/C26H24N6O4/c33-23-15-36-21-14-18(3-6-20(21)30-23)28-22-13-16-7-8-27-26(34)24(16)25(31-22)29-17-1-4-19(5-2-17)32-9-11-35-12-10-32/h1-8,13-14H,9-12,15H2,(H,27,34)(H,30,33)(H2,28,29,31)
InChIKeyKVUUUNPPOZCGBM-UHFFFAOYSA-N
MW484.52 g/mol
LogP3.58
Rot. Bonds5

About 7-[[1-(4-morpholin-4-ylanilino)-8-oxo-7H-2,7-naphthyridin-3-yl]amino]-4H-1,4-benzoxazin-3-one

7-[[1-(4-morpholin-4-ylanilino)-8-oxo-7H-2,7-naphthyridin-3-yl]amino]-4H-1,4-benzoxazin-3-one (PubChem CID 66888308) has the molecular formula C26H24N6O4 and a molecular weight of 484.52 g/mol. Its IUPAC name is 7-[[1-(4-morpholin-4-ylanilino)-8-oxo-7H-2,7-naphthyridin-3-yl]amino]-4H-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name7-[[1-(4-morpholin-4-ylanilino)-8-oxo-7H-2,7-naphthyridin-3-yl]amino]-4H-1,4-benzoxazin-3-one
PubChem CID66888308
Molecular FormulaC26H24N6O4
Molecular Weight484.52 g/mol
Exact Mass484.19
IUPAC Name7-[[1-(4-morpholin-4-ylanilino)-8-oxo-7H-2,7-naphthyridin-3-yl]amino]-4H-1,4-benzoxazin-3-one
SMILESO=C1COc2cc(Nc3cc4cc[nH]c(=O)c4c(Nc4ccc(N5CCOCC5)cc4)n3)ccc2N1
InChIInChI=1S/C26H24N6O4/c33-23-15-36-21-14-18(3-6-20(21)30-23)28-22-13-16-7-8-27-26(34)24(16)25(31-22)29-17-1-4-19(5-2-17)32-9-11-35-12-10-32/h1-8,13-14H,9-12,15H2,(H,27,34)(H,30,33)(H2,28,29,31)
InChIKeyKVUUUNPPOZCGBM-UHFFFAOYSA-N
XLogP3.58
TPSA120.61 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.52
LogP ≤ 53.58
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 7-[[1-(4-morpholin-4-ylanilino)-8-oxo-7H-2,7-naphthyridin-3-yl]amino]-4H-1,4-benzoxazin-3-one with MolForge

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Launch Full Analysis

Related Compounds

8-(4-morpholin-4-ylanilino)-6-(pyridin-2-ylamino)-2H-2,7-naphthyridin-1-one
CID 50925324
6-[[1-(4-morpholin-4-ylanilino)-8-oxo-7H-2,7-naphthyridin-3-yl]amino]pyridine-3-carboxylic acid
CID 123798843
6-chloro-8-(4-morpholin-4-ylanilino)-2H-2,7-naphthyridin-1-one
CID 86649544
6-(2,3-dimethylanilino)-8-(4-morpholin-4-ylanilino)-2H-2,7-naphthyridin-1-one;methanamine
CID 143841410
8-(4-morpholin-4-ylanilino)-6-(2-propan-2-ylsulfonylanilino)-2H-2,7-naphthyridin-1-one
CID 66887970
6-(1-methylpyrazol-3-yl)-8-(4-morpholin-4-ylanilino)-2H-2,7-naphthyridin-1-one
CID 66887661
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-(3,6-dihydro-2H-pyran-4-yl)-8-(4-morpholin-4-ylanilino)-2H-2,7-naphthyridin-1-one
CID 58166613
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
7-[4-(4-methylpiperidin-1-yl)anilino]-4H-1,4-benzoxazin-3-one
CID 167300314
6-(4-methyl-3-pyridinyl)-8-(4-morpholin-4-ylanilino)-2H-2,7-naphthyridin-1-one
CID 58094050

Frequently Asked Questions

What is the IUPAC name of 7-[[1-(4-morpholin-4-ylanilino)-8-oxo-7H-2,7-naphthyridin-3-yl]amino]-4H-1,4-benzoxazin-3-one?
The IUPAC name of 7-[[1-(4-morpholin-4-ylanilino)-8-oxo-7H-2,7-naphthyridin-3-yl]amino]-4H-1,4-benzoxazin-3-one (CID 66888308) is 7-[[1-(4-morpholin-4-ylanilino)-8-oxo-7H-2,7-naphthyridin-3-yl]amino]-4H-1,4-benzoxazin-3-one.
What is the SMILES notation for 7-[[1-(4-morpholin-4-ylanilino)-8-oxo-7H-2,7-naphthyridin-3-yl]amino]-4H-1,4-benzoxazin-3-one?
The canonical SMILES for 7-[[1-(4-morpholin-4-ylanilino)-8-oxo-7H-2,7-naphthyridin-3-yl]amino]-4H-1,4-benzoxazin-3-one is O=C1COc2cc(Nc3cc4cc[nH]c(=O)c4c(Nc4ccc(N5CCOCC5)cc4)n3)ccc2N1.
What is the InChIKey of 7-[[1-(4-morpholin-4-ylanilino)-8-oxo-7H-2,7-naphthyridin-3-yl]amino]-4H-1,4-benzoxazin-3-one?
The InChIKey is KVUUUNPPOZCGBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N6O4/c33-23-15-36-21-14-18(3-6-20(21)30-23)28-22-13-16-7-8-27-26(34)24(16)25(31-22)29-17-1-4-19(5-2-17)32-9-11-35-12-10-32/h1-8,13-14H,9-12,15H2,(H,27,34)(H,30,33)(H2,28,29,31).
What are the key properties of 7-[[1-(4-morpholin-4-ylanilino)-8-oxo-7H-2,7-naphthyridin-3-yl]amino]-4H-1,4-benzoxazin-3-one?
7-[[1-(4-morpholin-4-ylanilino)-8-oxo-7H-2,7-naphthyridin-3-yl]amino]-4H-1,4-benzoxazin-3-one has a molecular weight of 484.52 g/mol, XLogP of 3.58, 5 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[1-(4-morpholin-4-ylanilino)-8-oxo-7H-2,7-naphthyridin-3-yl]amino]-4H-1,4-benzoxazin-3-one is sourced from PubChem (CID 66888308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).