8-[(3-chloro-4-fluorophenyl)methyl]-2-(2-methoxyethyl)-3-methyl-3,5,9,10-tetrahydro-1H-imidazo[5,1-a][2,6]naphthyridin-6-one

C21H25ClFN3O2 — CID 123574599

IUPAC8-[(3-chloro-4-fluorophenyl)methyl]-2-(2-methoxyethyl)-3-methyl-3,5,9,10-tetrahydro-1H-imidazo[5,1-a][2,6]naphthyridin-6-one
SMILESCOCCN1CC2=C3CCN(Cc4ccc(F)c(Cl)c4)C=C3C(=O)CN2C1C
InChIInChI=1S/C21H25ClFN3O2/c1-14-25(7-8-28-2)12-20-16-5-6-24(11-17(16)21(27)13-26(14)20)10-15-3-4-19(23)18(22)9-15/h3-4,9,11,14H,5-8,10,12-13H2,1-2H3
InChIKeyVIGAXYBXFFQITC-UHFFFAOYSA-N
MW405.90 g/mol
LogP3.02
Rot. Bonds5

About 8-[(3-chloro-4-fluorophenyl)methyl]-2-(2-methoxyethyl)-3-methyl-3,5,9,10-tetrahydro-1H-imidazo[5,1-a][2,6]naphthyridin-6-one

8-[(3-chloro-4-fluorophenyl)methyl]-2-(2-methoxyethyl)-3-methyl-3,5,9,10-tetrahydro-1H-imidazo[5,1-a][2,6]naphthyridin-6-one (PubChem CID 123574599) has the molecular formula C21H25ClFN3O2 and a molecular weight of 405.90 g/mol. Its IUPAC name is 8-[(3-chloro-4-fluorophenyl)methyl]-2-(2-methoxyethyl)-3-methyl-3,5,9,10-tetrahydro-1H-imidazo[5,1-a][2,6]naphthyridin-6-one.

Molecular Properties

Compound Name8-[(3-chloro-4-fluorophenyl)methyl]-2-(2-methoxyethyl)-3-methyl-3,5,9,10-tetrahydro-1H-imidazo[5,1-a][2,6]naphthyridin-6-one
PubChem CID123574599
Molecular FormulaC21H25ClFN3O2
Molecular Weight405.90 g/mol
Exact Mass405.16
IUPAC Name8-[(3-chloro-4-fluorophenyl)methyl]-2-(2-methoxyethyl)-3-methyl-3,5,9,10-tetrahydro-1H-imidazo[5,1-a][2,6]naphthyridin-6-one
SMILESCOCCN1CC2=C3CCN(Cc4ccc(F)c(Cl)c4)C=C3C(=O)CN2C1C
InChIInChI=1S/C21H25ClFN3O2/c1-14-25(7-8-28-2)12-20-16-5-6-24(11-17(16)21(27)13-26(14)20)10-15-3-4-19(23)18(22)9-15/h3-4,9,11,14H,5-8,10,12-13H2,1-2H3
InChIKeyVIGAXYBXFFQITC-UHFFFAOYSA-N
XLogP3.02
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.90
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-[(3-chloro-4-fluorophenyl)methyl]-2-(2-methoxyethyl)-3-methyl-3,5,9,10-tetrahydro-1H-imidazo[5,1-a][2,6]naphthyridin-6-one?
The IUPAC name of 8-[(3-chloro-4-fluorophenyl)methyl]-2-(2-methoxyethyl)-3-methyl-3,5,9,10-tetrahydro-1H-imidazo[5,1-a][2,6]naphthyridin-6-one (CID 123574599) is 8-[(3-chloro-4-fluorophenyl)methyl]-2-(2-methoxyethyl)-3-methyl-3,5,9,10-tetrahydro-1H-imidazo[5,1-a][2,6]naphthyridin-6-one.
What is the SMILES notation for 8-[(3-chloro-4-fluorophenyl)methyl]-2-(2-methoxyethyl)-3-methyl-3,5,9,10-tetrahydro-1H-imidazo[5,1-a][2,6]naphthyridin-6-one?
The canonical SMILES for 8-[(3-chloro-4-fluorophenyl)methyl]-2-(2-methoxyethyl)-3-methyl-3,5,9,10-tetrahydro-1H-imidazo[5,1-a][2,6]naphthyridin-6-one is COCCN1CC2=C3CCN(Cc4ccc(F)c(Cl)c4)C=C3C(=O)CN2C1C.
What is the InChIKey of 8-[(3-chloro-4-fluorophenyl)methyl]-2-(2-methoxyethyl)-3-methyl-3,5,9,10-tetrahydro-1H-imidazo[5,1-a][2,6]naphthyridin-6-one?
The InChIKey is VIGAXYBXFFQITC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClFN3O2/c1-14-25(7-8-28-2)12-20-16-5-6-24(11-17(16)21(27)13-26(14)20)10-15-3-4-19(23)18(22)9-15/h3-4,9,11,14H,5-8,10,12-13H2,1-2H3.
What are the key properties of 8-[(3-chloro-4-fluorophenyl)methyl]-2-(2-methoxyethyl)-3-methyl-3,5,9,10-tetrahydro-1H-imidazo[5,1-a][2,6]naphthyridin-6-one?
8-[(3-chloro-4-fluorophenyl)methyl]-2-(2-methoxyethyl)-3-methyl-3,5,9,10-tetrahydro-1H-imidazo[5,1-a][2,6]naphthyridin-6-one has a molecular weight of 405.90 g/mol, XLogP of 3.02, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(3-chloro-4-fluorophenyl)methyl]-2-(2-methoxyethyl)-3-methyl-3,5,9,10-tetrahydro-1H-imidazo[5,1-a][2,6]naphthyridin-6-one is sourced from PubChem (CID 123574599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).