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

C24H22FN5O3 — CID 58093885

IUPAC8-(3-fluoro-4-morpholin-4-ylanilino)-6-(6-methoxy-3-pyridinyl)-2H-2,7-naphthyridin-1-one
SMILESCOc1ccc(-c2cc3cc[nH]c(=O)c3c(Nc3ccc(N4CCOCC4)c(F)c3)n2)cn1
InChIInChI=1S/C24H22FN5O3/c1-32-21-5-2-16(14-27-21)19-12-15-6-7-26-24(31)22(15)23(29-19)28-17-3-4-20(18(25)13-17)30-8-10-33-11-9-30/h2-7,12-14H,8-11H2,1H3,(H,26,31)(H,28,29)
InChIKeyZACBKJPUXGIXBA-UHFFFAOYSA-N
MW447.47 g/mol
LogP3.71
Rot. Bonds5

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

8-(3-fluoro-4-morpholin-4-ylanilino)-6-(6-methoxy-3-pyridinyl)-2H-2,7-naphthyridin-1-one (PubChem CID 58093885) has the molecular formula C24H22FN5O3 and a molecular weight of 447.47 g/mol. Its IUPAC name is 8-(3-fluoro-4-morpholin-4-ylanilino)-6-(6-methoxy-3-pyridinyl)-2H-2,7-naphthyridin-1-one.

Molecular Properties

Compound Name8-(3-fluoro-4-morpholin-4-ylanilino)-6-(6-methoxy-3-pyridinyl)-2H-2,7-naphthyridin-1-one
PubChem CID58093885
Molecular FormulaC24H22FN5O3
Molecular Weight447.47 g/mol
Exact Mass447.17
IUPAC Name8-(3-fluoro-4-morpholin-4-ylanilino)-6-(6-methoxy-3-pyridinyl)-2H-2,7-naphthyridin-1-one
SMILESCOc1ccc(-c2cc3cc[nH]c(=O)c3c(Nc3ccc(N4CCOCC4)c(F)c3)n2)cn1
InChIInChI=1S/C24H22FN5O3/c1-32-21-5-2-16(14-27-21)19-12-15-6-7-26-24(31)22(15)23(29-19)28-17-3-4-20(18(25)13-17)30-8-10-33-11-9-30/h2-7,12-14H,8-11H2,1H3,(H,26,31)(H,28,29)
InChIKeyZACBKJPUXGIXBA-UHFFFAOYSA-N
XLogP3.71
TPSA92.37 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.47
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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 8-(3-fluoro-4-morpholin-4-ylanilino)-6-(6-methoxy-3-pyridinyl)-2H-2,7-naphthyridin-1-one?
The IUPAC name of 8-(3-fluoro-4-morpholin-4-ylanilino)-6-(6-methoxy-3-pyridinyl)-2H-2,7-naphthyridin-1-one (CID 58093885) is 8-(3-fluoro-4-morpholin-4-ylanilino)-6-(6-methoxy-3-pyridinyl)-2H-2,7-naphthyridin-1-one.
What is the SMILES notation for 8-(3-fluoro-4-morpholin-4-ylanilino)-6-(6-methoxy-3-pyridinyl)-2H-2,7-naphthyridin-1-one?
The canonical SMILES for 8-(3-fluoro-4-morpholin-4-ylanilino)-6-(6-methoxy-3-pyridinyl)-2H-2,7-naphthyridin-1-one is COc1ccc(-c2cc3cc[nH]c(=O)c3c(Nc3ccc(N4CCOCC4)c(F)c3)n2)cn1.
What is the InChIKey of 8-(3-fluoro-4-morpholin-4-ylanilino)-6-(6-methoxy-3-pyridinyl)-2H-2,7-naphthyridin-1-one?
The InChIKey is ZACBKJPUXGIXBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN5O3/c1-32-21-5-2-16(14-27-21)19-12-15-6-7-26-24(31)22(15)23(29-19)28-17-3-4-20(18(25)13-17)30-8-10-33-11-9-30/h2-7,12-14H,8-11H2,1H3,(H,26,31)(H,28,29).
What are the key properties of 8-(3-fluoro-4-morpholin-4-ylanilino)-6-(6-methoxy-3-pyridinyl)-2H-2,7-naphthyridin-1-one?
8-(3-fluoro-4-morpholin-4-ylanilino)-6-(6-methoxy-3-pyridinyl)-2H-2,7-naphthyridin-1-one has a molecular weight of 447.47 g/mol, XLogP of 3.71, 5 rotatable bonds, 2 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-(6-methoxy-3-pyridinyl)-2H-2,7-naphthyridin-1-one is sourced from PubChem (CID 58093885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).