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

C25H26Cl2N4O4 — CID 24897766

IUPAC3-(2,6-dichloro-3,5-dimethoxyphenyl)-8-methyl-1-(2-morpholin-4-ylethyl)-7H-pyrrolo[2,3-h][1,6]naphthyridin-2-one
SMILESCOc1cc(OC)c(Cl)c(-c2cc3cnc4[nH]c(C)cc4c3n(CCN3CCOCC3)c2=O)c1Cl
InChIInChI=1S/C25H26Cl2N4O4/c1-14-10-17-23-15(13-28-24(17)29-14)11-16(20-21(26)18(33-2)12-19(34-3)22(20)27)25(32)31(23)5-4-30-6-8-35-9-7-30/h10-13H,4-9H2,1-3H3,(H,28,29)
InChIKeyYLLLLFJIUALXGD-UHFFFAOYSA-N
MW517.41 g/mol
LogP4.51
Rot. Bonds6

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

3-(2,6-dichloro-3,5-dimethoxyphenyl)-8-methyl-1-(2-morpholin-4-ylethyl)-7H-pyrrolo[2,3-h][1,6]naphthyridin-2-one (PubChem CID 24897766) has the molecular formula C25H26Cl2N4O4 and a molecular weight of 517.41 g/mol. Its IUPAC name is 3-(2,6-dichloro-3,5-dimethoxyphenyl)-8-methyl-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-methyl-1-(2-morpholin-4-ylethyl)-7H-pyrrolo[2,3-h][1,6]naphthyridin-2-one
PubChem CID24897766
Molecular FormulaC25H26Cl2N4O4
Molecular Weight517.41 g/mol
Exact Mass516.13
IUPAC Name3-(2,6-dichloro-3,5-dimethoxyphenyl)-8-methyl-1-(2-morpholin-4-ylethyl)-7H-pyrrolo[2,3-h][1,6]naphthyridin-2-one
SMILESCOc1cc(OC)c(Cl)c(-c2cc3cnc4[nH]c(C)cc4c3n(CCN3CCOCC3)c2=O)c1Cl
InChIInChI=1S/C25H26Cl2N4O4/c1-14-10-17-23-15(13-28-24(17)29-14)11-16(20-21(26)18(33-2)12-19(34-3)22(20)27)25(32)31(23)5-4-30-6-8-35-9-7-30/h10-13H,4-9H2,1-3H3,(H,28,29)
InChIKeyYLLLLFJIUALXGD-UHFFFAOYSA-N
XLogP4.51
TPSA81.61 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500517.41
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dichloro-3,5-dimethoxyphenyl)-8-methyl-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-methyl-1-(2-morpholin-4-ylethyl)-7H-pyrrolo[2,3-h][1,6]naphthyridin-2-one (CID 24897766) is 3-(2,6-dichloro-3,5-dimethoxyphenyl)-8-methyl-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-methyl-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-methyl-1-(2-morpholin-4-ylethyl)-7H-pyrrolo[2,3-h][1,6]naphthyridin-2-one is COc1cc(OC)c(Cl)c(-c2cc3cnc4[nH]c(C)cc4c3n(CCN3CCOCC3)c2=O)c1Cl.
What is the InChIKey of 3-(2,6-dichloro-3,5-dimethoxyphenyl)-8-methyl-1-(2-morpholin-4-ylethyl)-7H-pyrrolo[2,3-h][1,6]naphthyridin-2-one?
The InChIKey is YLLLLFJIUALXGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26Cl2N4O4/c1-14-10-17-23-15(13-28-24(17)29-14)11-16(20-21(26)18(33-2)12-19(34-3)22(20)27)25(32)31(23)5-4-30-6-8-35-9-7-30/h10-13H,4-9H2,1-3H3,(H,28,29).
What are the key properties of 3-(2,6-dichloro-3,5-dimethoxyphenyl)-8-methyl-1-(2-morpholin-4-ylethyl)-7H-pyrrolo[2,3-h][1,6]naphthyridin-2-one?
3-(2,6-dichloro-3,5-dimethoxyphenyl)-8-methyl-1-(2-morpholin-4-ylethyl)-7H-pyrrolo[2,3-h][1,6]naphthyridin-2-one has a molecular weight of 517.41 g/mol, XLogP of 4.51, 6 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-methyl-1-(2-morpholin-4-ylethyl)-7H-pyrrolo[2,3-h][1,6]naphthyridin-2-one is sourced from PubChem (CID 24897766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).