7-acetyl-9-(3-chlorophenyl)-6,8-dihydropyrrolo[3,4-b][1,8]naphthyridin-5-one

C18H14ClN3O2 — CID 14423252

IUPAC7-acetyl-9-(3-chlorophenyl)-6,8-dihydropyrrolo[3,4-b][1,8]naphthyridin-5-one
SMILESCC(=O)N1Cc2c(n(-c3cccc(Cl)c3)c3ncccc3c2=O)C1
InChIInChI=1S/C18H14ClN3O2/c1-11(23)21-9-15-16(10-21)22(13-5-2-4-12(19)8-13)18-14(17(15)24)6-3-7-20-18/h2-8H,9-10H2,1H3
InChIKeyOVOZLOIUJTZJMM-UHFFFAOYSA-N
MW339.78 g/mol
LogP2.90
Rot. Bonds1

About 7-acetyl-9-(3-chlorophenyl)-6,8-dihydropyrrolo[3,4-b][1,8]naphthyridin-5-one

7-acetyl-9-(3-chlorophenyl)-6,8-dihydropyrrolo[3,4-b][1,8]naphthyridin-5-one (PubChem CID 14423252) has the molecular formula C18H14ClN3O2 and a molecular weight of 339.78 g/mol. Its IUPAC name is 7-acetyl-9-(3-chlorophenyl)-6,8-dihydropyrrolo[3,4-b][1,8]naphthyridin-5-one.

Molecular Properties

Compound Name7-acetyl-9-(3-chlorophenyl)-6,8-dihydropyrrolo[3,4-b][1,8]naphthyridin-5-one
PubChem CID14423252
Molecular FormulaC18H14ClN3O2
Molecular Weight339.78 g/mol
Exact Mass339.08
IUPAC Name7-acetyl-9-(3-chlorophenyl)-6,8-dihydropyrrolo[3,4-b][1,8]naphthyridin-5-one
SMILESCC(=O)N1Cc2c(n(-c3cccc(Cl)c3)c3ncccc3c2=O)C1
InChIInChI=1S/C18H14ClN3O2/c1-11(23)21-9-15-16(10-21)22(13-5-2-4-12(19)8-13)18-14(17(15)24)6-3-7-20-18/h2-8H,9-10H2,1H3
InChIKeyOVOZLOIUJTZJMM-UHFFFAOYSA-N
XLogP2.90
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.78
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-acetyl-9-(3-chlorophenyl)-6,8-dihydropyrrolo[3,4-b][1,8]naphthyridin-5-one?
The IUPAC name of 7-acetyl-9-(3-chlorophenyl)-6,8-dihydropyrrolo[3,4-b][1,8]naphthyridin-5-one (CID 14423252) is 7-acetyl-9-(3-chlorophenyl)-6,8-dihydropyrrolo[3,4-b][1,8]naphthyridin-5-one.
What is the SMILES notation for 7-acetyl-9-(3-chlorophenyl)-6,8-dihydropyrrolo[3,4-b][1,8]naphthyridin-5-one?
The canonical SMILES for 7-acetyl-9-(3-chlorophenyl)-6,8-dihydropyrrolo[3,4-b][1,8]naphthyridin-5-one is CC(=O)N1Cc2c(n(-c3cccc(Cl)c3)c3ncccc3c2=O)C1.
What is the InChIKey of 7-acetyl-9-(3-chlorophenyl)-6,8-dihydropyrrolo[3,4-b][1,8]naphthyridin-5-one?
The InChIKey is OVOZLOIUJTZJMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClN3O2/c1-11(23)21-9-15-16(10-21)22(13-5-2-4-12(19)8-13)18-14(17(15)24)6-3-7-20-18/h2-8H,9-10H2,1H3.
What are the key properties of 7-acetyl-9-(3-chlorophenyl)-6,8-dihydropyrrolo[3,4-b][1,8]naphthyridin-5-one?
7-acetyl-9-(3-chlorophenyl)-6,8-dihydropyrrolo[3,4-b][1,8]naphthyridin-5-one has a molecular weight of 339.78 g/mol, XLogP of 2.90, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-acetyl-9-(3-chlorophenyl)-6,8-dihydropyrrolo[3,4-b][1,8]naphthyridin-5-one is sourced from PubChem (CID 14423252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).