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

C24H22FN5O3 — CID 58093746

IUPAC8-(3-fluoro-4-morpholin-4-ylanilino)-6-(6-methoxy-2-pyridinyl)-2H-2,7-naphthyridin-1-one
SMILESCOc1cccc(-c2cc3cc[nH]c(=O)c3c(Nc3ccc(N4CCOCC4)c(F)c3)n2)n1
InChIInChI=1S/C24H22FN5O3/c1-32-21-4-2-3-18(28-21)19-13-15-7-8-26-24(31)22(15)23(29-19)27-16-5-6-20(17(25)14-16)30-9-11-33-12-10-30/h2-8,13-14H,9-12H2,1H3,(H,26,31)(H,27,29)
InChIKeyKUQNPGVCUMXFAP-UHFFFAOYSA-N
MW447.47 g/mol
LogP3.71
Rot. Bonds5

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

8-(3-fluoro-4-morpholin-4-ylanilino)-6-(6-methoxy-2-pyridinyl)-2H-2,7-naphthyridin-1-one (PubChem CID 58093746) 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-2-pyridinyl)-2H-2,7-naphthyridin-1-one.

Molecular Properties

Compound Name8-(3-fluoro-4-morpholin-4-ylanilino)-6-(6-methoxy-2-pyridinyl)-2H-2,7-naphthyridin-1-one
PubChem CID58093746
Molecular FormulaC24H22FN5O3
Molecular Weight447.47 g/mol
Exact Mass447.17
IUPAC Name8-(3-fluoro-4-morpholin-4-ylanilino)-6-(6-methoxy-2-pyridinyl)-2H-2,7-naphthyridin-1-one
SMILESCOc1cccc(-c2cc3cc[nH]c(=O)c3c(Nc3ccc(N4CCOCC4)c(F)c3)n2)n1
InChIInChI=1S/C24H22FN5O3/c1-32-21-4-2-3-18(28-21)19-13-15-7-8-26-24(31)22(15)23(29-19)27-16-5-6-20(17(25)14-16)30-9-11-33-12-10-30/h2-8,13-14H,9-12H2,1H3,(H,26,31)(H,27,29)
InChIKeyKUQNPGVCUMXFAP-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-2-pyridinyl)-2H-2,7-naphthyridin-1-one?
The IUPAC name of 8-(3-fluoro-4-morpholin-4-ylanilino)-6-(6-methoxy-2-pyridinyl)-2H-2,7-naphthyridin-1-one (CID 58093746) is 8-(3-fluoro-4-morpholin-4-ylanilino)-6-(6-methoxy-2-pyridinyl)-2H-2,7-naphthyridin-1-one.
What is the SMILES notation for 8-(3-fluoro-4-morpholin-4-ylanilino)-6-(6-methoxy-2-pyridinyl)-2H-2,7-naphthyridin-1-one?
The canonical SMILES for 8-(3-fluoro-4-morpholin-4-ylanilino)-6-(6-methoxy-2-pyridinyl)-2H-2,7-naphthyridin-1-one is COc1cccc(-c2cc3cc[nH]c(=O)c3c(Nc3ccc(N4CCOCC4)c(F)c3)n2)n1.
What is the InChIKey of 8-(3-fluoro-4-morpholin-4-ylanilino)-6-(6-methoxy-2-pyridinyl)-2H-2,7-naphthyridin-1-one?
The InChIKey is KUQNPGVCUMXFAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN5O3/c1-32-21-4-2-3-18(28-21)19-13-15-7-8-26-24(31)22(15)23(29-19)27-16-5-6-20(17(25)14-16)30-9-11-33-12-10-30/h2-8,13-14H,9-12H2,1H3,(H,26,31)(H,27,29).
What are the key properties of 8-(3-fluoro-4-morpholin-4-ylanilino)-6-(6-methoxy-2-pyridinyl)-2H-2,7-naphthyridin-1-one?
8-(3-fluoro-4-morpholin-4-ylanilino)-6-(6-methoxy-2-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-2-pyridinyl)-2H-2,7-naphthyridin-1-one is sourced from PubChem (CID 58093746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).