5-acetyl-2-anilino-7-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-6-fluoro-1-phenyl-1,8-naphthyridin-4-one

C28H27FN4O3 — CID 10184677

IUPAC5-acetyl-2-anilino-7-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-6-fluoro-1-phenyl-1,8-naphthyridin-4-one
SMILESCC(=O)c1c(F)c(N2C[C@@H](C)O[C@@H](C)C2)nc2c1c(=O)cc(Nc1ccccc1)n2-c1ccccc1
InChIInChI=1S/C28H27FN4O3/c1-17-15-32(16-18(2)36-17)28-26(29)24(19(3)34)25-22(35)14-23(30-20-10-6-4-7-11-20)33(27(25)31-28)21-12-8-5-9-13-21/h4-14,17-18,30H,15-16H2,1-3H3/t17-,18+
InChIKeyJENRLRCKXHRPPP-HDICACEKSA-N
MW486.55 g/mol
LogP5.08
Rot. Bonds5

About 5-acetyl-2-anilino-7-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-6-fluoro-1-phenyl-1,8-naphthyridin-4-one

5-acetyl-2-anilino-7-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-6-fluoro-1-phenyl-1,8-naphthyridin-4-one (PubChem CID 10184677) has the molecular formula C28H27FN4O3 and a molecular weight of 486.55 g/mol. Its IUPAC name is 5-acetyl-2-anilino-7-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-6-fluoro-1-phenyl-1,8-naphthyridin-4-one.

Molecular Properties

Compound Name5-acetyl-2-anilino-7-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-6-fluoro-1-phenyl-1,8-naphthyridin-4-one
PubChem CID10184677
Molecular FormulaC28H27FN4O3
Molecular Weight486.55 g/mol
Exact Mass486.21
IUPAC Name5-acetyl-2-anilino-7-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-6-fluoro-1-phenyl-1,8-naphthyridin-4-one
SMILESCC(=O)c1c(F)c(N2C[C@@H](C)O[C@@H](C)C2)nc2c1c(=O)cc(Nc1ccccc1)n2-c1ccccc1
InChIInChI=1S/C28H27FN4O3/c1-17-15-32(16-18(2)36-17)28-26(29)24(19(3)34)25-22(35)14-23(30-20-10-6-4-7-11-20)33(27(25)31-28)21-12-8-5-9-13-21/h4-14,17-18,30H,15-16H2,1-3H3/t17-,18+
InChIKeyJENRLRCKXHRPPP-HDICACEKSA-N
XLogP5.08
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.55
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-acetyl-2-anilino-7-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-6-fluoro-1-phenyl-1,8-naphthyridin-4-one with MolForge

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Launch Full Analysis

Related Compounds

8-(4-morpholin-4-ylanilino)-6-phenyl-2H-2,7-naphthyridin-1-one
CID 44193817
N-[(3-fluorophenyl)-methyl]-4-methyl-6-morpholin-4-yl-2-propyl-pyridine-3-carboxylic acid amide
CID 67286956
7-Morpholin-4-yl-2-phenyl-[1,8]naphthyridin-4-ol
CID 11312833
2-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]anilino]-5-fluoro-6-[(3S)-3-(prop-2-enoylamino)pyrrolidin-1-yl]pyridine-3-carboxamide
CID 145991760
6-(4-ethylpiperazin-1-yl)-8-(4-morpholin-4-ylanilino)-2H-2,7-naphthyridin-1-one
CID 44180606
8-(4-morpholin-4-ylanilino)-6-(2,2,2-trifluoroethylamino)-2H-2,7-naphthyridin-1-one
CID 58094024
BRD4 BD1 ligand PB006
CID 176445531
2-Anilino-7-morpholin-4-yl-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one
CID 10162038
3-[4-(5-Hydroxy-7-phenyl-[1,8]naphthyridin-2-yl)-piperazin-1-yl]-propionic acid ethyl ester
CID 44333456
2-((4-Fluoro-2-methylphenylamino)methyl)-6-morpholinoisonicotinaldehyde
CID 44592217
7-[[(1R,2S)-2-aminocyclohexyl]amino]-8-fluoro-5-(3-morpholin-4-ylanilino)-3H-pyrido[3,4-d]pyridazin-4-one
CID 177378750
2-Anilino-7-(4-methylpiperazin-1-yl)-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one
CID 10116626

Frequently Asked Questions

What is the IUPAC name of 5-acetyl-2-anilino-7-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-6-fluoro-1-phenyl-1,8-naphthyridin-4-one?
The IUPAC name of 5-acetyl-2-anilino-7-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-6-fluoro-1-phenyl-1,8-naphthyridin-4-one (CID 10184677) is 5-acetyl-2-anilino-7-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-6-fluoro-1-phenyl-1,8-naphthyridin-4-one.
What is the SMILES notation for 5-acetyl-2-anilino-7-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-6-fluoro-1-phenyl-1,8-naphthyridin-4-one?
The canonical SMILES for 5-acetyl-2-anilino-7-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-6-fluoro-1-phenyl-1,8-naphthyridin-4-one is CC(=O)c1c(F)c(N2C[C@@H](C)O[C@@H](C)C2)nc2c1c(=O)cc(Nc1ccccc1)n2-c1ccccc1.
What is the InChIKey of 5-acetyl-2-anilino-7-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-6-fluoro-1-phenyl-1,8-naphthyridin-4-one?
The InChIKey is JENRLRCKXHRPPP-HDICACEKSA-N. The full InChI is InChI=1S/C28H27FN4O3/c1-17-15-32(16-18(2)36-17)28-26(29)24(19(3)34)25-22(35)14-23(30-20-10-6-4-7-11-20)33(27(25)31-28)21-12-8-5-9-13-21/h4-14,17-18,30H,15-16H2,1-3H3/t17-,18+.
What are the key properties of 5-acetyl-2-anilino-7-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-6-fluoro-1-phenyl-1,8-naphthyridin-4-one?
5-acetyl-2-anilino-7-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-6-fluoro-1-phenyl-1,8-naphthyridin-4-one has a molecular weight of 486.55 g/mol, XLogP of 5.08, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-2-anilino-7-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-6-fluoro-1-phenyl-1,8-naphthyridin-4-one is sourced from PubChem (CID 10184677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).