8-(3-fluoro-4-morpholin-4-ylanilino)-6-(3-methoxy-4-phosphanylphenyl)-2H-2,7-naphthyridin-1-one;methanamine

C26H29FN5O3P — CID 143841234

IUPAC8-(3-fluoro-4-morpholin-4-ylanilino)-6-(3-methoxy-4-phosphanylphenyl)-2H-2,7-naphthyridin-1-one;methanamine
SMILESCN.COc1cc(-c2cc3cc[nH]c(=O)c3c(Nc3ccc(N4CCOCC4)c(F)c3)n2)ccc1P
InChIInChI=1S/C25H24FN4O3P.CH5N/c1-32-21-13-15(2-5-22(21)34)19-12-16-6-7-27-25(31)23(16)24(29-19)28-17-3-4-20(18(26)14-17)30-8-10-33-11-9-30;1-2/h2-7,12-14H,8-11,34H2,1H3,(H,27,31)(H,28,29);2H2,1H3
InChIKeyGCRDICRRQNQHBO-UHFFFAOYSA-N
MW509.52 g/mol
LogP3.39
Rot. Bonds5

About 8-(3-fluoro-4-morpholin-4-ylanilino)-6-(3-methoxy-4-phosphanylphenyl)-2H-2,7-naphthyridin-1-one;methanamine

8-(3-fluoro-4-morpholin-4-ylanilino)-6-(3-methoxy-4-phosphanylphenyl)-2H-2,7-naphthyridin-1-one;methanamine (PubChem CID 143841234) has the molecular formula C26H29FN5O3P and a molecular weight of 509.52 g/mol. Its IUPAC name is 8-(3-fluoro-4-morpholin-4-ylanilino)-6-(3-methoxy-4-phosphanylphenyl)-2H-2,7-naphthyridin-1-one;methanamine.

Molecular Properties

Compound Name8-(3-fluoro-4-morpholin-4-ylanilino)-6-(3-methoxy-4-phosphanylphenyl)-2H-2,7-naphthyridin-1-one;methanamine
PubChem CID143841234
Molecular FormulaC26H29FN5O3P
Molecular Weight509.52 g/mol
Exact Mass509.20
IUPAC Name8-(3-fluoro-4-morpholin-4-ylanilino)-6-(3-methoxy-4-phosphanylphenyl)-2H-2,7-naphthyridin-1-one;methanamine
SMILESCN.COc1cc(-c2cc3cc[nH]c(=O)c3c(Nc3ccc(N4CCOCC4)c(F)c3)n2)ccc1P
InChIInChI=1S/C25H24FN4O3P.CH5N/c1-32-21-13-15(2-5-22(21)34)19-12-16-6-7-27-25(31)23(16)24(29-19)28-17-3-4-20(18(26)14-17)30-8-10-33-11-9-30;1-2/h2-7,12-14H,8-11,34H2,1H3,(H,27,31)(H,28,29);2H2,1H3
InChIKeyGCRDICRRQNQHBO-UHFFFAOYSA-N
XLogP3.39
TPSA105.50 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500509.52
LogP ≤ 53.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-(3-fluoro-4-morpholin-4-ylanilino)-6-(3-methoxy-4-phosphanylphenyl)-2H-2,7-naphthyridin-1-one;methanamine?
The IUPAC name of 8-(3-fluoro-4-morpholin-4-ylanilino)-6-(3-methoxy-4-phosphanylphenyl)-2H-2,7-naphthyridin-1-one;methanamine (CID 143841234) is 8-(3-fluoro-4-morpholin-4-ylanilino)-6-(3-methoxy-4-phosphanylphenyl)-2H-2,7-naphthyridin-1-one;methanamine.
What is the SMILES notation for 8-(3-fluoro-4-morpholin-4-ylanilino)-6-(3-methoxy-4-phosphanylphenyl)-2H-2,7-naphthyridin-1-one;methanamine?
The canonical SMILES for 8-(3-fluoro-4-morpholin-4-ylanilino)-6-(3-methoxy-4-phosphanylphenyl)-2H-2,7-naphthyridin-1-one;methanamine is CN.COc1cc(-c2cc3cc[nH]c(=O)c3c(Nc3ccc(N4CCOCC4)c(F)c3)n2)ccc1P.
What is the InChIKey of 8-(3-fluoro-4-morpholin-4-ylanilino)-6-(3-methoxy-4-phosphanylphenyl)-2H-2,7-naphthyridin-1-one;methanamine?
The InChIKey is GCRDICRRQNQHBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24FN4O3P.CH5N/c1-32-21-13-15(2-5-22(21)34)19-12-16-6-7-27-25(31)23(16)24(29-19)28-17-3-4-20(18(26)14-17)30-8-10-33-11-9-30;1-2/h2-7,12-14H,8-11,34H2,1H3,(H,27,31)(H,28,29);2H2,1H3.
What are the key properties of 8-(3-fluoro-4-morpholin-4-ylanilino)-6-(3-methoxy-4-phosphanylphenyl)-2H-2,7-naphthyridin-1-one;methanamine?
8-(3-fluoro-4-morpholin-4-ylanilino)-6-(3-methoxy-4-phosphanylphenyl)-2H-2,7-naphthyridin-1-one;methanamine has a molecular weight of 509.52 g/mol, XLogP of 3.39, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-fluoro-4-morpholin-4-ylanilino)-6-(3-methoxy-4-phosphanylphenyl)-2H-2,7-naphthyridin-1-one;methanamine is sourced from PubChem (CID 143841234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).