6-(5-fluoro-2-methoxyphenyl)-8-[4-(1-methylpiperidin-4-yl)anilino]-2H-2,7-naphthyridin-1-one

C27H27FN4O2 — CID 58094503

IUPAC6-(5-fluoro-2-methoxyphenyl)-8-[4-(1-methylpiperidin-4-yl)anilino]-2H-2,7-naphthyridin-1-one
SMILESCOc1ccc(F)cc1-c1cc2cc[nH]c(=O)c2c(Nc2ccc(C3CCN(C)CC3)cc2)n1
InChIInChI=1S/C27H27FN4O2/c1-32-13-10-18(11-14-32)17-3-6-21(7-4-17)30-26-25-19(9-12-29-27(25)33)15-23(31-26)22-16-20(28)5-8-24(22)34-2/h3-9,12,15-16,18H,10-11,13-14H2,1-2H3,(H,29,33)(H,30,31)
InChIKeyNCHHLRMIEXMADR-UHFFFAOYSA-N
MW458.54 g/mol
LogP5.29
Rot. Bonds5

About 6-(5-fluoro-2-methoxyphenyl)-8-[4-(1-methylpiperidin-4-yl)anilino]-2H-2,7-naphthyridin-1-one

6-(5-fluoro-2-methoxyphenyl)-8-[4-(1-methylpiperidin-4-yl)anilino]-2H-2,7-naphthyridin-1-one (PubChem CID 58094503) has the molecular formula C27H27FN4O2 and a molecular weight of 458.54 g/mol. Its IUPAC name is 6-(5-fluoro-2-methoxyphenyl)-8-[4-(1-methylpiperidin-4-yl)anilino]-2H-2,7-naphthyridin-1-one.

Molecular Properties

Compound Name6-(5-fluoro-2-methoxyphenyl)-8-[4-(1-methylpiperidin-4-yl)anilino]-2H-2,7-naphthyridin-1-one
PubChem CID58094503
Molecular FormulaC27H27FN4O2
Molecular Weight458.54 g/mol
Exact Mass458.21
IUPAC Name6-(5-fluoro-2-methoxyphenyl)-8-[4-(1-methylpiperidin-4-yl)anilino]-2H-2,7-naphthyridin-1-one
SMILESCOc1ccc(F)cc1-c1cc2cc[nH]c(=O)c2c(Nc2ccc(C3CCN(C)CC3)cc2)n1
InChIInChI=1S/C27H27FN4O2/c1-32-13-10-18(11-14-32)17-3-6-21(7-4-17)30-26-25-19(9-12-29-27(25)33)15-23(31-26)22-16-20(28)5-8-24(22)34-2/h3-9,12,15-16,18H,10-11,13-14H2,1-2H3,(H,29,33)(H,30,31)
InChIKeyNCHHLRMIEXMADR-UHFFFAOYSA-N
XLogP5.29
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.54
LogP ≤ 55.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-(5-fluoro-2-methoxyphenyl)-8-[4-(1-methylpiperidin-4-yl)anilino]-2H-2,7-naphthyridin-1-one with MolForge

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Launch Full Analysis

Related Compounds

1-Benzyl-7-(2-methoxyphenyl)-3-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxylic acid
CID 9319241
4-[[(1R,2S)-2-aminocyclohexyl]amino]-2-[[6-(4-methoxyphenyl)-2-pyridinyl]amino]benzamide
CID 71523042
1-ethyl-N~3~-(4-methoxyphenethyl)-7-methyl-4-oxo-1,4-dihydro[1,8]naphthyridine-3-carboxamide
CID 2470993
N-cyclohexyl-1-[(4-methoxyphenyl)methyl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide
CID 16086909
2-[3-[4-(2-Methoxyphenyl)piperazin-1-yl]propylamino]-4,6-dimethylpyridine-3-carboxamide
CID 44324012
[6-(2,5-dimethoxyphenyl)-2-(dimethylamino)-3-pyridinyl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
CID 45199926
[6-(2,5-Dimethoxyphenyl)-2-(dimethylamino)-3-pyridinyl]-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methanone
CID 52946621
7-methoxy-2-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methylamino]-3H-pyrimido[4,5-b]quinolin-4-one
CID 145952376
N-[5-[3-[2-(2,5-dimethoxyphenyl)ethyl]-4-oxoquinazolin-6-yl]-6-methyl-2-pyridinyl]acetamide
CID 155530055
6-(6-Amino-2-methyl-3-pyridinyl)-3-[2-(2,5-dimethoxyphenyl)ethyl]quinazolin-4-one
CID 155542766
5-(Cyclopropylamino)-3-methyl-7-[4-(2-morpholin-4-ylethoxy)phenyl]pyrido[4,3-d]pyrimidin-4-one
CID 50923117
6-(5-methoxy-3-pyridinyl)-8-[4-(oxan-4-yl)anilino]-2H-2,7-naphthyridin-1-one
CID 58093634

Frequently Asked Questions

What is the IUPAC name of 6-(5-fluoro-2-methoxyphenyl)-8-[4-(1-methylpiperidin-4-yl)anilino]-2H-2,7-naphthyridin-1-one?
The IUPAC name of 6-(5-fluoro-2-methoxyphenyl)-8-[4-(1-methylpiperidin-4-yl)anilino]-2H-2,7-naphthyridin-1-one (CID 58094503) is 6-(5-fluoro-2-methoxyphenyl)-8-[4-(1-methylpiperidin-4-yl)anilino]-2H-2,7-naphthyridin-1-one.
What is the SMILES notation for 6-(5-fluoro-2-methoxyphenyl)-8-[4-(1-methylpiperidin-4-yl)anilino]-2H-2,7-naphthyridin-1-one?
The canonical SMILES for 6-(5-fluoro-2-methoxyphenyl)-8-[4-(1-methylpiperidin-4-yl)anilino]-2H-2,7-naphthyridin-1-one is COc1ccc(F)cc1-c1cc2cc[nH]c(=O)c2c(Nc2ccc(C3CCN(C)CC3)cc2)n1.
What is the InChIKey of 6-(5-fluoro-2-methoxyphenyl)-8-[4-(1-methylpiperidin-4-yl)anilino]-2H-2,7-naphthyridin-1-one?
The InChIKey is NCHHLRMIEXMADR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27FN4O2/c1-32-13-10-18(11-14-32)17-3-6-21(7-4-17)30-26-25-19(9-12-29-27(25)33)15-23(31-26)22-16-20(28)5-8-24(22)34-2/h3-9,12,15-16,18H,10-11,13-14H2,1-2H3,(H,29,33)(H,30,31).
What are the key properties of 6-(5-fluoro-2-methoxyphenyl)-8-[4-(1-methylpiperidin-4-yl)anilino]-2H-2,7-naphthyridin-1-one?
6-(5-fluoro-2-methoxyphenyl)-8-[4-(1-methylpiperidin-4-yl)anilino]-2H-2,7-naphthyridin-1-one has a molecular weight of 458.54 g/mol, XLogP of 5.29, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-fluoro-2-methoxyphenyl)-8-[4-(1-methylpiperidin-4-yl)anilino]-2H-2,7-naphthyridin-1-one is sourced from PubChem (CID 58094503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).