2-anilino-6-fluoro-5-methyl-7-morpholin-4-yl-1-phenyl-1,8-naphthyridin-4-one

C25H23FN4O2 — CID 10181101

IUPAC2-anilino-6-fluoro-5-methyl-7-morpholin-4-yl-1-phenyl-1,8-naphthyridin-4-one
SMILESCc1c(F)c(N2CCOCC2)nc2c1c(=O)cc(Nc1ccccc1)n2-c1ccccc1
InChIInChI=1S/C25H23FN4O2/c1-17-22-20(31)16-21(27-18-8-4-2-5-9-18)30(19-10-6-3-7-11-19)24(22)28-25(23(17)26)29-12-14-32-15-13-29/h2-11,16,27H,12-15H2,1H3
InChIKeyNLBAANHNGBMZQU-UHFFFAOYSA-N
MW430.48 g/mol
LogP4.41
Rot. Bonds4

About 2-anilino-6-fluoro-5-methyl-7-morpholin-4-yl-1-phenyl-1,8-naphthyridin-4-one

2-anilino-6-fluoro-5-methyl-7-morpholin-4-yl-1-phenyl-1,8-naphthyridin-4-one (PubChem CID 10181101) has the molecular formula C25H23FN4O2 and a molecular weight of 430.48 g/mol. Its IUPAC name is 2-anilino-6-fluoro-5-methyl-7-morpholin-4-yl-1-phenyl-1,8-naphthyridin-4-one.

Molecular Properties

Compound Name2-anilino-6-fluoro-5-methyl-7-morpholin-4-yl-1-phenyl-1,8-naphthyridin-4-one
PubChem CID10181101
Molecular FormulaC25H23FN4O2
Molecular Weight430.48 g/mol
Exact Mass430.18
IUPAC Name2-anilino-6-fluoro-5-methyl-7-morpholin-4-yl-1-phenyl-1,8-naphthyridin-4-one
SMILESCc1c(F)c(N2CCOCC2)nc2c1c(=O)cc(Nc1ccccc1)n2-c1ccccc1
InChIInChI=1S/C25H23FN4O2/c1-17-22-20(31)16-21(27-18-8-4-2-5-9-18)30(19-10-6-3-7-11-19)24(22)28-25(23(17)26)29-12-14-32-15-13-29/h2-11,16,27H,12-15H2,1H3
InChIKeyNLBAANHNGBMZQU-UHFFFAOYSA-N
XLogP4.41
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.48
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-anilino-6-fluoro-5-methyl-7-morpholin-4-yl-1-phenyl-1,8-naphthyridin-4-one?
The IUPAC name of 2-anilino-6-fluoro-5-methyl-7-morpholin-4-yl-1-phenyl-1,8-naphthyridin-4-one (CID 10181101) is 2-anilino-6-fluoro-5-methyl-7-morpholin-4-yl-1-phenyl-1,8-naphthyridin-4-one.
What is the SMILES notation for 2-anilino-6-fluoro-5-methyl-7-morpholin-4-yl-1-phenyl-1,8-naphthyridin-4-one?
The canonical SMILES for 2-anilino-6-fluoro-5-methyl-7-morpholin-4-yl-1-phenyl-1,8-naphthyridin-4-one is Cc1c(F)c(N2CCOCC2)nc2c1c(=O)cc(Nc1ccccc1)n2-c1ccccc1.
What is the InChIKey of 2-anilino-6-fluoro-5-methyl-7-morpholin-4-yl-1-phenyl-1,8-naphthyridin-4-one?
The InChIKey is NLBAANHNGBMZQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23FN4O2/c1-17-22-20(31)16-21(27-18-8-4-2-5-9-18)30(19-10-6-3-7-11-19)24(22)28-25(23(17)26)29-12-14-32-15-13-29/h2-11,16,27H,12-15H2,1H3.
What are the key properties of 2-anilino-6-fluoro-5-methyl-7-morpholin-4-yl-1-phenyl-1,8-naphthyridin-4-one?
2-anilino-6-fluoro-5-methyl-7-morpholin-4-yl-1-phenyl-1,8-naphthyridin-4-one has a molecular weight of 430.48 g/mol, XLogP of 4.41, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-6-fluoro-5-methyl-7-morpholin-4-yl-1-phenyl-1,8-naphthyridin-4-one is sourced from PubChem (CID 10181101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).