2-[[3-(2,6-dichloro-3,5-dimethoxyphenyl)-7-[2-(ethenylamino)-6-methylanilino]-2,6-naphthyridin-1-yl]amino]ethanol

C27H27Cl2N5O3 — CID 167095618

IUPAC2-[[3-(2,6-dichloro-3,5-dimethoxyphenyl)-7-[2-(ethenylamino)-6-methylanilino]-2,6-naphthyridin-1-yl]amino]ethanol
SMILESC=CNc1cccc(C)c1Nc1cc2c(NCCO)nc(-c3c(Cl)c(OC)cc(OC)c3Cl)cc2cn1
InChIInChI=1S/C27H27Cl2N5O3/c1-5-30-18-8-6-7-15(2)26(18)34-22-12-17-16(14-32-22)11-19(33-27(17)31-9-10-35)23-24(28)20(36-3)13-21(37-4)25(23)29/h5-8,11-14,30,35H,1,9-10H2,2-4H3,(H,31,33)(H,32,34)
InChIKeyFFGGSUPSKDQGIA-UHFFFAOYSA-N
MW540.45 g/mol
LogP6.63
Rot. Bonds10

About 2-[[3-(2,6-dichloro-3,5-dimethoxyphenyl)-7-[2-(ethenylamino)-6-methylanilino]-2,6-naphthyridin-1-yl]amino]ethanol

2-[[3-(2,6-dichloro-3,5-dimethoxyphenyl)-7-[2-(ethenylamino)-6-methylanilino]-2,6-naphthyridin-1-yl]amino]ethanol (PubChem CID 167095618) has the molecular formula C27H27Cl2N5O3 and a molecular weight of 540.45 g/mol. Its IUPAC name is 2-[[3-(2,6-dichloro-3,5-dimethoxyphenyl)-7-[2-(ethenylamino)-6-methylanilino]-2,6-naphthyridin-1-yl]amino]ethanol.

Molecular Properties

Compound Name2-[[3-(2,6-dichloro-3,5-dimethoxyphenyl)-7-[2-(ethenylamino)-6-methylanilino]-2,6-naphthyridin-1-yl]amino]ethanol
PubChem CID167095618
Molecular FormulaC27H27Cl2N5O3
Molecular Weight540.45 g/mol
Exact Mass539.15
IUPAC Name2-[[3-(2,6-dichloro-3,5-dimethoxyphenyl)-7-[2-(ethenylamino)-6-methylanilino]-2,6-naphthyridin-1-yl]amino]ethanol
SMILESC=CNc1cccc(C)c1Nc1cc2c(NCCO)nc(-c3c(Cl)c(OC)cc(OC)c3Cl)cc2cn1
InChIInChI=1S/C27H27Cl2N5O3/c1-5-30-18-8-6-7-15(2)26(18)34-22-12-17-16(14-32-22)11-19(33-27(17)31-9-10-35)23-24(28)20(36-3)13-21(37-4)25(23)29/h5-8,11-14,30,35H,1,9-10H2,2-4H3,(H,31,33)(H,32,34)
InChIKeyFFGGSUPSKDQGIA-UHFFFAOYSA-N
XLogP6.63
TPSA100.56 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500540.45
LogP ≤ 56.63
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze 2-[[3-(2,6-dichloro-3,5-dimethoxyphenyl)-7-[2-(ethenylamino)-6-methylanilino]-2,6-naphthyridin-1-yl]amino]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-N-(cyclopentylmethyl)-3-(2,6-dichloro-3,5-dimethoxyphenyl)-7-N-[2-(ethenylamino)-6-methylphenyl]-2,6-naphthyridine-1,7-diamine
CID 167095624
1-N-(cyclopropylmethyl)-3-(2,6-dichloro-3,5-dimethoxyphenyl)-7-N-[2-methyl-6-(methylamino)phenyl]-2,6-naphthyridine-1,7-diamine
CID 142380892
N-[2-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-[[1-(1,1-dimethoxyethyl)pyrazol-4-yl]methylamino]-2,6-naphthyridin-3-yl]amino]-3-methylphenyl]prop-2-enamide
CID 139451130
N-[2-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-2,6-naphthyridin-3-yl]amino]-3-methylphenyl]formamide
CID 139395826
N-[2-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-(2-hydroxyethylamino)pyrido[3,4-d]pyrimidin-2-yl]amino]-3-methylphenyl]acetamide
CID 139456510
N-[2-[[2-(2,6-dichloro-3,5-dimethoxyphenyl)thieno[3,2-c]pyridin-6-yl]amino]-3-methylphenyl]formamide;prop-1-ene
CID 142381524
N-[(3S,4S)-3-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-(2-hydroxyethylamino)-2,6-naphthyridin-3-yl]amino]oxan-4-yl]prop-2-enamide
CID 139385290
N-[2-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-(2-ethylsulfanylethylamino)pyrido[3,4-d]pyrimidin-2-yl]amino]-3-methylphenyl]prop-2-enamide
CID 139395556
N-[2-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-(2,2,2-trifluoroethylamino)pyrido[3,4-d]pyrimidin-2-yl]amino]-3-methylphenyl]prop-2-enamide
CID 135181077
7-chloro-3-(2,6-dichloro-3,5-dimethoxyphenyl)-N-(2-methoxyethyl)-2,6-naphthyridin-1-amine
CID 139385604
3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-N,7-N-dimethyl-2,6-naphthyridine-1,7-diamine;propane
CID 142381446
5-[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-(2-methoxyethylamino)-2,6-naphthyridin-3-yl]pent-1-en-3-one
CID 158274351

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(2,6-dichloro-3,5-dimethoxyphenyl)-7-[2-(ethenylamino)-6-methylanilino]-2,6-naphthyridin-1-yl]amino]ethanol?
The IUPAC name of 2-[[3-(2,6-dichloro-3,5-dimethoxyphenyl)-7-[2-(ethenylamino)-6-methylanilino]-2,6-naphthyridin-1-yl]amino]ethanol (CID 167095618) is 2-[[3-(2,6-dichloro-3,5-dimethoxyphenyl)-7-[2-(ethenylamino)-6-methylanilino]-2,6-naphthyridin-1-yl]amino]ethanol.
What is the SMILES notation for 2-[[3-(2,6-dichloro-3,5-dimethoxyphenyl)-7-[2-(ethenylamino)-6-methylanilino]-2,6-naphthyridin-1-yl]amino]ethanol?
The canonical SMILES for 2-[[3-(2,6-dichloro-3,5-dimethoxyphenyl)-7-[2-(ethenylamino)-6-methylanilino]-2,6-naphthyridin-1-yl]amino]ethanol is C=CNc1cccc(C)c1Nc1cc2c(NCCO)nc(-c3c(Cl)c(OC)cc(OC)c3Cl)cc2cn1.
What is the InChIKey of 2-[[3-(2,6-dichloro-3,5-dimethoxyphenyl)-7-[2-(ethenylamino)-6-methylanilino]-2,6-naphthyridin-1-yl]amino]ethanol?
The InChIKey is FFGGSUPSKDQGIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27Cl2N5O3/c1-5-30-18-8-6-7-15(2)26(18)34-22-12-17-16(14-32-22)11-19(33-27(17)31-9-10-35)23-24(28)20(36-3)13-21(37-4)25(23)29/h5-8,11-14,30,35H,1,9-10H2,2-4H3,(H,31,33)(H,32,34).
What are the key properties of 2-[[3-(2,6-dichloro-3,5-dimethoxyphenyl)-7-[2-(ethenylamino)-6-methylanilino]-2,6-naphthyridin-1-yl]amino]ethanol?
2-[[3-(2,6-dichloro-3,5-dimethoxyphenyl)-7-[2-(ethenylamino)-6-methylanilino]-2,6-naphthyridin-1-yl]amino]ethanol has a molecular weight of 540.45 g/mol, XLogP of 6.63, 10 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(2,6-dichloro-3,5-dimethoxyphenyl)-7-[2-(ethenylamino)-6-methylanilino]-2,6-naphthyridin-1-yl]amino]ethanol is sourced from PubChem (CID 167095618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).