3-[(4-chlorophenyl)methyl]-5-phenylimidazo[4,5-c][1,8]naphthyridin-4-one

C22H15ClN4O — CID 3071980

IUPAC3-[(4-chlorophenyl)methyl]-5-phenylimidazo[4,5-c][1,8]naphthyridin-4-one
SMILESO=c1c2c(ncn2Cc2ccc(Cl)cc2)c2cccnc2n1-c1ccccc1
InChIInChI=1S/C22H15ClN4O/c23-16-10-8-15(9-11-16)13-26-14-25-19-18-7-4-12-24-21(18)27(22(28)20(19)26)17-5-2-1-3-6-17/h1-12,14H,13H2
InChIKeyGXXZQLRUBMVDRK-UHFFFAOYSA-N
MW386.84 g/mol
LogP4.44
Rot. Bonds3

About 3-[(4-chlorophenyl)methyl]-5-phenylimidazo[4,5-c][1,8]naphthyridin-4-one

3-[(4-chlorophenyl)methyl]-5-phenylimidazo[4,5-c][1,8]naphthyridin-4-one (PubChem CID 3071980) has the molecular formula C22H15ClN4O and a molecular weight of 386.84 g/mol. Its IUPAC name is 3-[(4-chlorophenyl)methyl]-5-phenylimidazo[4,5-c][1,8]naphthyridin-4-one.

Molecular Properties

Compound Name3-[(4-chlorophenyl)methyl]-5-phenylimidazo[4,5-c][1,8]naphthyridin-4-one
PubChem CID3071980
Molecular FormulaC22H15ClN4O
Molecular Weight386.84 g/mol
Exact Mass386.09
IUPAC Name3-[(4-chlorophenyl)methyl]-5-phenylimidazo[4,5-c][1,8]naphthyridin-4-one
SMILESO=c1c2c(ncn2Cc2ccc(Cl)cc2)c2cccnc2n1-c1ccccc1
InChIInChI=1S/C22H15ClN4O/c23-16-10-8-15(9-11-16)13-26-14-25-19-18-7-4-12-24-21(18)27(22(28)20(19)26)17-5-2-1-3-6-17/h1-12,14H,13H2
InChIKeyGXXZQLRUBMVDRK-UHFFFAOYSA-N
XLogP4.44
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.84
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-chlorophenyl)methyl]-5-phenylimidazo[4,5-c][1,8]naphthyridin-4-one?
The IUPAC name of 3-[(4-chlorophenyl)methyl]-5-phenylimidazo[4,5-c][1,8]naphthyridin-4-one (CID 3071980) is 3-[(4-chlorophenyl)methyl]-5-phenylimidazo[4,5-c][1,8]naphthyridin-4-one.
What is the SMILES notation for 3-[(4-chlorophenyl)methyl]-5-phenylimidazo[4,5-c][1,8]naphthyridin-4-one?
The canonical SMILES for 3-[(4-chlorophenyl)methyl]-5-phenylimidazo[4,5-c][1,8]naphthyridin-4-one is O=c1c2c(ncn2Cc2ccc(Cl)cc2)c2cccnc2n1-c1ccccc1.
What is the InChIKey of 3-[(4-chlorophenyl)methyl]-5-phenylimidazo[4,5-c][1,8]naphthyridin-4-one?
The InChIKey is GXXZQLRUBMVDRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15ClN4O/c23-16-10-8-15(9-11-16)13-26-14-25-19-18-7-4-12-24-21(18)27(22(28)20(19)26)17-5-2-1-3-6-17/h1-12,14H,13H2.
What are the key properties of 3-[(4-chlorophenyl)methyl]-5-phenylimidazo[4,5-c][1,8]naphthyridin-4-one?
3-[(4-chlorophenyl)methyl]-5-phenylimidazo[4,5-c][1,8]naphthyridin-4-one has a molecular weight of 386.84 g/mol, XLogP of 4.44, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chlorophenyl)methyl]-5-phenylimidazo[4,5-c][1,8]naphthyridin-4-one is sourced from PubChem (CID 3071980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).