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

C19H21ClFN3O — CID 123477821

IUPAC8-[(3-chloro-4-fluorophenyl)methyl]-2,3-dimethyl-3,5,9,10-tetrahydro-1H-imidazo[5,1-a][2,6]naphthyridin-6-one
SMILESCC1N(C)CC2=C3CCN(Cc4ccc(F)c(Cl)c4)C=C3C(=O)CN21
InChIInChI=1S/C19H21ClFN3O/c1-12-22(2)10-18-14-5-6-23(9-15(14)19(25)11-24(12)18)8-13-3-4-17(21)16(20)7-13/h3-4,7,9,12H,5-6,8,10-11H2,1-2H3
InChIKeyTVOLYPHDNGUQAX-UHFFFAOYSA-N
MW361.85 g/mol
LogP3.00
Rot. Bonds2

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

8-[(3-chloro-4-fluorophenyl)methyl]-2,3-dimethyl-3,5,9,10-tetrahydro-1H-imidazo[5,1-a][2,6]naphthyridin-6-one (PubChem CID 123477821) has the molecular formula C19H21ClFN3O and a molecular weight of 361.85 g/mol. Its IUPAC name is 8-[(3-chloro-4-fluorophenyl)methyl]-2,3-dimethyl-3,5,9,10-tetrahydro-1H-imidazo[5,1-a][2,6]naphthyridin-6-one.

Molecular Properties

Compound Name8-[(3-chloro-4-fluorophenyl)methyl]-2,3-dimethyl-3,5,9,10-tetrahydro-1H-imidazo[5,1-a][2,6]naphthyridin-6-one
PubChem CID123477821
Molecular FormulaC19H21ClFN3O
Molecular Weight361.85 g/mol
Exact Mass361.14
IUPAC Name8-[(3-chloro-4-fluorophenyl)methyl]-2,3-dimethyl-3,5,9,10-tetrahydro-1H-imidazo[5,1-a][2,6]naphthyridin-6-one
SMILESCC1N(C)CC2=C3CCN(Cc4ccc(F)c(Cl)c4)C=C3C(=O)CN21
InChIInChI=1S/C19H21ClFN3O/c1-12-22(2)10-18-14-5-6-23(9-15(14)19(25)11-24(12)18)8-13-3-4-17(21)16(20)7-13/h3-4,7,9,12H,5-6,8,10-11H2,1-2H3
InChIKeyTVOLYPHDNGUQAX-UHFFFAOYSA-N
XLogP3.00
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.85
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-[(3-chloro-4-fluorophenyl)methyl]-2,3-dimethyl-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]-2,3-dimethyl-3,5,9,10-tetrahydro-1H-imidazo[5,1-a][2,6]naphthyridin-6-one (CID 123477821) is 8-[(3-chloro-4-fluorophenyl)methyl]-2,3-dimethyl-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]-2,3-dimethyl-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]-2,3-dimethyl-3,5,9,10-tetrahydro-1H-imidazo[5,1-a][2,6]naphthyridin-6-one is CC1N(C)CC2=C3CCN(Cc4ccc(F)c(Cl)c4)C=C3C(=O)CN21.
What is the InChIKey of 8-[(3-chloro-4-fluorophenyl)methyl]-2,3-dimethyl-3,5,9,10-tetrahydro-1H-imidazo[5,1-a][2,6]naphthyridin-6-one?
The InChIKey is TVOLYPHDNGUQAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClFN3O/c1-12-22(2)10-18-14-5-6-23(9-15(14)19(25)11-24(12)18)8-13-3-4-17(21)16(20)7-13/h3-4,7,9,12H,5-6,8,10-11H2,1-2H3.
What are the key properties of 8-[(3-chloro-4-fluorophenyl)methyl]-2,3-dimethyl-3,5,9,10-tetrahydro-1H-imidazo[5,1-a][2,6]naphthyridin-6-one?
8-[(3-chloro-4-fluorophenyl)methyl]-2,3-dimethyl-3,5,9,10-tetrahydro-1H-imidazo[5,1-a][2,6]naphthyridin-6-one has a molecular weight of 361.85 g/mol, XLogP of 3.00, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(3-chloro-4-fluorophenyl)methyl]-2,3-dimethyl-3,5,9,10-tetrahydro-1H-imidazo[5,1-a][2,6]naphthyridin-6-one is sourced from PubChem (CID 123477821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).