7-(2,6-dichloro-3,5-dimethoxyphenyl)-9-ethyl-2-methyl-1H-imidazo[4,5-h][1,6]naphthyridin-8-one

C20H18Cl2N4O3 — CID 24898632

IUPAC7-(2,6-dichloro-3,5-dimethoxyphenyl)-9-ethyl-2-methyl-1H-imidazo[4,5-h][1,6]naphthyridin-8-one
SMILESCCn1c(=O)c(-c2c(Cl)c(OC)cc(OC)c2Cl)cc2cnc3nc(C)[nH]c3c21
InChIInChI=1S/C20H18Cl2N4O3/c1-5-26-18-10(8-23-19-17(18)24-9(2)25-19)6-11(20(26)27)14-15(21)12(28-3)7-13(29-4)16(14)22/h6-8H,5H2,1-4H3,(H,23,24,25)
InChIKeyPWCXCXJRCBPMCW-UHFFFAOYSA-N
MW433.30 g/mol
LogP4.59
Rot. Bonds4

About 7-(2,6-dichloro-3,5-dimethoxyphenyl)-9-ethyl-2-methyl-1H-imidazo[4,5-h][1,6]naphthyridin-8-one

7-(2,6-dichloro-3,5-dimethoxyphenyl)-9-ethyl-2-methyl-1H-imidazo[4,5-h][1,6]naphthyridin-8-one (PubChem CID 24898632) has the molecular formula C20H18Cl2N4O3 and a molecular weight of 433.30 g/mol. Its IUPAC name is 7-(2,6-dichloro-3,5-dimethoxyphenyl)-9-ethyl-2-methyl-1H-imidazo[4,5-h][1,6]naphthyridin-8-one.

Molecular Properties

Compound Name7-(2,6-dichloro-3,5-dimethoxyphenyl)-9-ethyl-2-methyl-1H-imidazo[4,5-h][1,6]naphthyridin-8-one
PubChem CID24898632
Molecular FormulaC20H18Cl2N4O3
Molecular Weight433.30 g/mol
Exact Mass432.08
IUPAC Name7-(2,6-dichloro-3,5-dimethoxyphenyl)-9-ethyl-2-methyl-1H-imidazo[4,5-h][1,6]naphthyridin-8-one
SMILESCCn1c(=O)c(-c2c(Cl)c(OC)cc(OC)c2Cl)cc2cnc3nc(C)[nH]c3c21
InChIInChI=1S/C20H18Cl2N4O3/c1-5-26-18-10(8-23-19-17(18)24-9(2)25-19)6-11(20(26)27)14-15(21)12(28-3)7-13(29-4)16(14)22/h6-8H,5H2,1-4H3,(H,23,24,25)
InChIKeyPWCXCXJRCBPMCW-UHFFFAOYSA-N
XLogP4.59
TPSA82.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.30
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-(2,6-dichloro-3,5-dimethoxyphenyl)-9-ethyl-2-methyl-1H-imidazo[4,5-h][1,6]naphthyridin-8-one?
The IUPAC name of 7-(2,6-dichloro-3,5-dimethoxyphenyl)-9-ethyl-2-methyl-1H-imidazo[4,5-h][1,6]naphthyridin-8-one (CID 24898632) is 7-(2,6-dichloro-3,5-dimethoxyphenyl)-9-ethyl-2-methyl-1H-imidazo[4,5-h][1,6]naphthyridin-8-one.
What is the SMILES notation for 7-(2,6-dichloro-3,5-dimethoxyphenyl)-9-ethyl-2-methyl-1H-imidazo[4,5-h][1,6]naphthyridin-8-one?
The canonical SMILES for 7-(2,6-dichloro-3,5-dimethoxyphenyl)-9-ethyl-2-methyl-1H-imidazo[4,5-h][1,6]naphthyridin-8-one is CCn1c(=O)c(-c2c(Cl)c(OC)cc(OC)c2Cl)cc2cnc3nc(C)[nH]c3c21.
What is the InChIKey of 7-(2,6-dichloro-3,5-dimethoxyphenyl)-9-ethyl-2-methyl-1H-imidazo[4,5-h][1,6]naphthyridin-8-one?
The InChIKey is PWCXCXJRCBPMCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18Cl2N4O3/c1-5-26-18-10(8-23-19-17(18)24-9(2)25-19)6-11(20(26)27)14-15(21)12(28-3)7-13(29-4)16(14)22/h6-8H,5H2,1-4H3,(H,23,24,25).
What are the key properties of 7-(2,6-dichloro-3,5-dimethoxyphenyl)-9-ethyl-2-methyl-1H-imidazo[4,5-h][1,6]naphthyridin-8-one?
7-(2,6-dichloro-3,5-dimethoxyphenyl)-9-ethyl-2-methyl-1H-imidazo[4,5-h][1,6]naphthyridin-8-one has a molecular weight of 433.30 g/mol, XLogP of 4.59, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2,6-dichloro-3,5-dimethoxyphenyl)-9-ethyl-2-methyl-1H-imidazo[4,5-h][1,6]naphthyridin-8-one is sourced from PubChem (CID 24898632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).