2-[[3-(2-fluoro-3-methoxyphenyl)-7-(methylamino)-2,6-naphthyridin-1-yl]amino]ethanol

C18H19FN4O2 — CID 142381014

IUPAC2-[[3-(2-fluoro-3-methoxyphenyl)-7-(methylamino)-2,6-naphthyridin-1-yl]amino]ethanol
SMILESCNc1cc2c(NCCO)nc(-c3cccc(OC)c3F)cc2cn1
InChIInChI=1S/C18H19FN4O2/c1-20-16-9-13-11(10-22-16)8-14(23-18(13)21-6-7-24)12-4-3-5-15(25-2)17(12)19/h3-5,8-10,24H,6-7H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyCMTDKUYMIXCKPJ-UHFFFAOYSA-N
MW342.37 g/mol
LogP2.89
Rot. Bonds6

About 2-[[3-(2-fluoro-3-methoxyphenyl)-7-(methylamino)-2,6-naphthyridin-1-yl]amino]ethanol

2-[[3-(2-fluoro-3-methoxyphenyl)-7-(methylamino)-2,6-naphthyridin-1-yl]amino]ethanol (PubChem CID 142381014) has the molecular formula C18H19FN4O2 and a molecular weight of 342.37 g/mol. Its IUPAC name is 2-[[3-(2-fluoro-3-methoxyphenyl)-7-(methylamino)-2,6-naphthyridin-1-yl]amino]ethanol.

Molecular Properties

Compound Name2-[[3-(2-fluoro-3-methoxyphenyl)-7-(methylamino)-2,6-naphthyridin-1-yl]amino]ethanol
PubChem CID142381014
Molecular FormulaC18H19FN4O2
Molecular Weight342.37 g/mol
Exact Mass342.15
IUPAC Name2-[[3-(2-fluoro-3-methoxyphenyl)-7-(methylamino)-2,6-naphthyridin-1-yl]amino]ethanol
SMILESCNc1cc2c(NCCO)nc(-c3cccc(OC)c3F)cc2cn1
InChIInChI=1S/C18H19FN4O2/c1-20-16-9-13-11(10-22-16)8-14(23-18(13)21-6-7-24)12-4-3-5-15(25-2)17(12)19/h3-5,8-10,24H,6-7H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyCMTDKUYMIXCKPJ-UHFFFAOYSA-N
XLogP2.89
TPSA79.30 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.37
LogP ≤ 52.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-[[3-(2-fluoro-3-methoxyphenyl)-7-(methylamino)-2,6-naphthyridin-1-yl]amino]ethanol with MolForge

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Related Compounds

2-[[7-amino-3-(2-fluoro-3-methoxyphenyl)-2,6-naphthyridin-1-yl]amino]ethanol
CID 135179999
6-(2-fluoro-3-methoxyphenyl)-8-N-methylpyrido[3,4-d]pyrimidine-2,8-diamine
CID 139395999
6-(2-fluoro-3-methoxyphenyl)-N-methylpyridin-2-amine
CID 82812009
2-[[3-(2,6-dichloro-3,5-dimethoxyphenyl)-7-[2-(ethenylamino)-6-methylanilino]-2,6-naphthyridin-1-yl]amino]ethanol
CID 167095618
3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-N,7-N-dimethyl-2,6-naphthyridine-1,7-diamine;propane
CID 142381446
N-ethyl-5-(2-fluoro-3-methoxyphenyl)pyrazin-2-amine
CID 112754900
N-ethyl-6-(2-fluoro-3-methoxyphenyl)pyrimidin-4-amine
CID 82812222
4-(2-fluoro-3-methoxyphenyl)-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine
CID 114563487
5-fluoro-2-(2-fluoro-3-methoxyphenyl)pyridine
CID 50961650
3-(2,6-dichloro-3,5-dimethoxyphenyl)-7-N-methyl-1-N-(oxolan-2-ylmethyl)-2,6-naphthyridine-1,7-diamine
CID 139395611
6-(2-fluoro-3-methoxyphenyl)-8-N-[(1-methylpyrrolidin-2-yl)methyl]pyrido[3,4-d]pyrimidine-2,8-diamine
CID 135180285
7-chloro-3-(2,6-dichloro-3,5-dimethoxyphenyl)-N-(2-methoxyethyl)-2,6-naphthyridin-1-amine
CID 139385604

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(2-fluoro-3-methoxyphenyl)-7-(methylamino)-2,6-naphthyridin-1-yl]amino]ethanol?
The IUPAC name of 2-[[3-(2-fluoro-3-methoxyphenyl)-7-(methylamino)-2,6-naphthyridin-1-yl]amino]ethanol (CID 142381014) is 2-[[3-(2-fluoro-3-methoxyphenyl)-7-(methylamino)-2,6-naphthyridin-1-yl]amino]ethanol.
What is the SMILES notation for 2-[[3-(2-fluoro-3-methoxyphenyl)-7-(methylamino)-2,6-naphthyridin-1-yl]amino]ethanol?
The canonical SMILES for 2-[[3-(2-fluoro-3-methoxyphenyl)-7-(methylamino)-2,6-naphthyridin-1-yl]amino]ethanol is CNc1cc2c(NCCO)nc(-c3cccc(OC)c3F)cc2cn1.
What is the InChIKey of 2-[[3-(2-fluoro-3-methoxyphenyl)-7-(methylamino)-2,6-naphthyridin-1-yl]amino]ethanol?
The InChIKey is CMTDKUYMIXCKPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN4O2/c1-20-16-9-13-11(10-22-16)8-14(23-18(13)21-6-7-24)12-4-3-5-15(25-2)17(12)19/h3-5,8-10,24H,6-7H2,1-2H3,(H,20,22)(H,21,23).
What are the key properties of 2-[[3-(2-fluoro-3-methoxyphenyl)-7-(methylamino)-2,6-naphthyridin-1-yl]amino]ethanol?
2-[[3-(2-fluoro-3-methoxyphenyl)-7-(methylamino)-2,6-naphthyridin-1-yl]amino]ethanol has a molecular weight of 342.37 g/mol, XLogP of 2.89, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(2-fluoro-3-methoxyphenyl)-7-(methylamino)-2,6-naphthyridin-1-yl]amino]ethanol is sourced from PubChem (CID 142381014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).