3-(2,6-dichloro-3,5-dimethoxyphenyl)-8-ethyl-1-(2-morpholin-4-ylethyl)-7H-pyrrolo[2,3-h][1,6]naphthyridin-2-one

C26H28Cl2N4O4 — CID 24897767

IUPAC3-(2,6-dichloro-3,5-dimethoxyphenyl)-8-ethyl-1-(2-morpholin-4-ylethyl)-7H-pyrrolo[2,3-h][1,6]naphthyridin-2-one
SMILESCCc1cc2c(ncc3cc(-c4c(Cl)c(OC)cc(OC)c4Cl)c(=O)n(CCN4CCOCC4)c32)[nH]1
InChIInChI=1S/C26H28Cl2N4O4/c1-4-16-12-18-24-15(14-29-25(18)30-16)11-17(21-22(27)19(34-2)13-20(35-3)23(21)28)26(33)32(24)6-5-31-7-9-36-10-8-31/h11-14H,4-10H2,1-3H3,(H,29,30)
InChIKeyXNXKJHFLGXIBSU-UHFFFAOYSA-N
MW531.44 g/mol
LogP4.76
Rot. Bonds7

About 3-(2,6-dichloro-3,5-dimethoxyphenyl)-8-ethyl-1-(2-morpholin-4-ylethyl)-7H-pyrrolo[2,3-h][1,6]naphthyridin-2-one

3-(2,6-dichloro-3,5-dimethoxyphenyl)-8-ethyl-1-(2-morpholin-4-ylethyl)-7H-pyrrolo[2,3-h][1,6]naphthyridin-2-one (PubChem CID 24897767) has the molecular formula C26H28Cl2N4O4 and a molecular weight of 531.44 g/mol. Its IUPAC name is 3-(2,6-dichloro-3,5-dimethoxyphenyl)-8-ethyl-1-(2-morpholin-4-ylethyl)-7H-pyrrolo[2,3-h][1,6]naphthyridin-2-one.

Molecular Properties

Compound Name3-(2,6-dichloro-3,5-dimethoxyphenyl)-8-ethyl-1-(2-morpholin-4-ylethyl)-7H-pyrrolo[2,3-h][1,6]naphthyridin-2-one
PubChem CID24897767
Molecular FormulaC26H28Cl2N4O4
Molecular Weight531.44 g/mol
Exact Mass530.15
IUPAC Name3-(2,6-dichloro-3,5-dimethoxyphenyl)-8-ethyl-1-(2-morpholin-4-ylethyl)-7H-pyrrolo[2,3-h][1,6]naphthyridin-2-one
SMILESCCc1cc2c(ncc3cc(-c4c(Cl)c(OC)cc(OC)c4Cl)c(=O)n(CCN4CCOCC4)c32)[nH]1
InChIInChI=1S/C26H28Cl2N4O4/c1-4-16-12-18-24-15(14-29-25(18)30-16)11-17(21-22(27)19(34-2)13-20(35-3)23(21)28)26(33)32(24)6-5-31-7-9-36-10-8-31/h11-14H,4-10H2,1-3H3,(H,29,30)
InChIKeyXNXKJHFLGXIBSU-UHFFFAOYSA-N
XLogP4.76
TPSA81.61 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500531.44
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-(2,6-dichloro-3,5-dimethoxyphenyl)-8-ethyl-1-(2-morpholin-4-ylethyl)-7H-pyrrolo[2,3-h][1,6]naphthyridin-2-one with MolForge

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Related Compounds

Fgfr4-IN-5
CID 90436886
N-[4-[2-[6-(2-chloro-3,5-dimethoxyphenyl)-2-(2-morpholin-4-ylethylamino)-7-oxopyrido[2,3-d]pyrimidin-8-yl]ethyl]phenyl]prop-2-enamide
CID 86278931
N-[4-[2-[6-(2-chloro-3,5-dimethoxyphenyl)-2-[2-(4-methylpiperazin-1-yl)ethylamino]-7-oxopyrido[2,3-d]pyrimidin-8-yl]ethyl]phenyl]prop-2-enamide
CID 86291937
N-[4-[2-[6-(2-chloro-3,5-dimethoxyphenyl)-2-[2-(4-ethylpiperazin-1-yl)ethylamino]-7-oxopyrido[2,3-d]pyrimidin-8-yl]ethyl]phenyl]prop-2-enamide
CID 86292511
N-[4-[2-[6-(2-chloro-3,5-dimethoxyphenyl)-2-(2-hydroxyethylamino)-7-oxopyrido[2,3-d]pyrimidin-8-yl]ethyl]phenyl]prop-2-enamide
CID 86292906
US9567334, Example 15
CID 118296035
N-[6-(2,6-dichloro-3,5-dimethoxyphenyl)-1H-pyrazolo[5,4-b]pyridin-3-yl]-4-[4-(2-methoxyethyl)piperazin-1-yl]benzamide
CID 118893306
N-[(3S,4S)-3-[[3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-ethyl-2-oxo-1,6-naphthyridin-7-yl]amino]oxan-4-yl]prop-2-enamide
CID 168283864
N-[5-[2-[6-(2-chloro-3,5-dimethoxyphenyl)-2-(methylamino)-7-oxopyrido[2,3-d]pyrimidin-8-yl]ethyl]pyrazin-2-yl]prop-2-enamide
CID 86291934
N-[4-[2-[2-[2-(4-acetylpiperazin-1-yl)ethylamino]-6-(2-chloro-3,5-dimethoxyphenyl)-7-oxopyrido[2,3-d]pyrimidin-8-yl]ethyl]phenyl]prop-2-enamide
CID 86292714
N-[4-[2-[6-(2-chloro-3,5-dimethoxyphenyl)-2-(methylamino)-7-oxopyrido[2,3-d]pyrimidin-8-yl]ethyl]-2-pyridinyl]prop-2-enamide
CID 86293662
N-[5-[2-[6-(2-chloro-3,5-dimethoxyphenyl)-2-(methylamino)-7-oxopyrido[2,3-d]pyrimidin-8-yl]ethyl]-2-pyridinyl]prop-2-enamide
CID 86293663

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dichloro-3,5-dimethoxyphenyl)-8-ethyl-1-(2-morpholin-4-ylethyl)-7H-pyrrolo[2,3-h][1,6]naphthyridin-2-one?
The IUPAC name of 3-(2,6-dichloro-3,5-dimethoxyphenyl)-8-ethyl-1-(2-morpholin-4-ylethyl)-7H-pyrrolo[2,3-h][1,6]naphthyridin-2-one (CID 24897767) is 3-(2,6-dichloro-3,5-dimethoxyphenyl)-8-ethyl-1-(2-morpholin-4-ylethyl)-7H-pyrrolo[2,3-h][1,6]naphthyridin-2-one.
What is the SMILES notation for 3-(2,6-dichloro-3,5-dimethoxyphenyl)-8-ethyl-1-(2-morpholin-4-ylethyl)-7H-pyrrolo[2,3-h][1,6]naphthyridin-2-one?
The canonical SMILES for 3-(2,6-dichloro-3,5-dimethoxyphenyl)-8-ethyl-1-(2-morpholin-4-ylethyl)-7H-pyrrolo[2,3-h][1,6]naphthyridin-2-one is CCc1cc2c(ncc3cc(-c4c(Cl)c(OC)cc(OC)c4Cl)c(=O)n(CCN4CCOCC4)c32)[nH]1.
What is the InChIKey of 3-(2,6-dichloro-3,5-dimethoxyphenyl)-8-ethyl-1-(2-morpholin-4-ylethyl)-7H-pyrrolo[2,3-h][1,6]naphthyridin-2-one?
The InChIKey is XNXKJHFLGXIBSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28Cl2N4O4/c1-4-16-12-18-24-15(14-29-25(18)30-16)11-17(21-22(27)19(34-2)13-20(35-3)23(21)28)26(33)32(24)6-5-31-7-9-36-10-8-31/h11-14H,4-10H2,1-3H3,(H,29,30).
What are the key properties of 3-(2,6-dichloro-3,5-dimethoxyphenyl)-8-ethyl-1-(2-morpholin-4-ylethyl)-7H-pyrrolo[2,3-h][1,6]naphthyridin-2-one?
3-(2,6-dichloro-3,5-dimethoxyphenyl)-8-ethyl-1-(2-morpholin-4-ylethyl)-7H-pyrrolo[2,3-h][1,6]naphthyridin-2-one has a molecular weight of 531.44 g/mol, XLogP of 4.76, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dichloro-3,5-dimethoxyphenyl)-8-ethyl-1-(2-morpholin-4-ylethyl)-7H-pyrrolo[2,3-h][1,6]naphthyridin-2-one is sourced from PubChem (CID 24897767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).