9-(3-chlorophenyl)-1-methyl-2,3-dihydropyrrolo[2,3-b][1,8]naphthyridin-4-one

C17H14ClN3O — CID 14423253

IUPAC9-(3-chlorophenyl)-1-methyl-2,3-dihydropyrrolo[2,3-b][1,8]naphthyridin-4-one
SMILESCN1CCc2c1n(-c1cccc(Cl)c1)c1ncccc1c2=O
InChIInChI=1S/C17H14ClN3O/c1-20-9-7-14-15(22)13-6-3-8-19-16(13)21(17(14)20)12-5-2-4-11(18)10-12/h2-6,8,10H,7,9H2,1H3
InChIKeyFSMIXYWDSMZXIU-UHFFFAOYSA-N
MW311.77 g/mol
LogP3.03
Rot. Bonds1

About 9-(3-chlorophenyl)-1-methyl-2,3-dihydropyrrolo[2,3-b][1,8]naphthyridin-4-one

9-(3-chlorophenyl)-1-methyl-2,3-dihydropyrrolo[2,3-b][1,8]naphthyridin-4-one (PubChem CID 14423253) has the molecular formula C17H14ClN3O and a molecular weight of 311.77 g/mol. Its IUPAC name is 9-(3-chlorophenyl)-1-methyl-2,3-dihydropyrrolo[2,3-b][1,8]naphthyridin-4-one.

Molecular Properties

Compound Name9-(3-chlorophenyl)-1-methyl-2,3-dihydropyrrolo[2,3-b][1,8]naphthyridin-4-one
PubChem CID14423253
Molecular FormulaC17H14ClN3O
Molecular Weight311.77 g/mol
Exact Mass311.08
IUPAC Name9-(3-chlorophenyl)-1-methyl-2,3-dihydropyrrolo[2,3-b][1,8]naphthyridin-4-one
SMILESCN1CCc2c1n(-c1cccc(Cl)c1)c1ncccc1c2=O
InChIInChI=1S/C17H14ClN3O/c1-20-9-7-14-15(22)13-6-3-8-19-16(13)21(17(14)20)12-5-2-4-11(18)10-12/h2-6,8,10H,7,9H2,1H3
InChIKeyFSMIXYWDSMZXIU-UHFFFAOYSA-N
XLogP3.03
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.77
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 9-(3-chlorophenyl)-1-methyl-2,3-dihydropyrrolo[2,3-b][1,8]naphthyridin-4-one?
The IUPAC name of 9-(3-chlorophenyl)-1-methyl-2,3-dihydropyrrolo[2,3-b][1,8]naphthyridin-4-one (CID 14423253) is 9-(3-chlorophenyl)-1-methyl-2,3-dihydropyrrolo[2,3-b][1,8]naphthyridin-4-one.
What is the SMILES notation for 9-(3-chlorophenyl)-1-methyl-2,3-dihydropyrrolo[2,3-b][1,8]naphthyridin-4-one?
The canonical SMILES for 9-(3-chlorophenyl)-1-methyl-2,3-dihydropyrrolo[2,3-b][1,8]naphthyridin-4-one is CN1CCc2c1n(-c1cccc(Cl)c1)c1ncccc1c2=O.
What is the InChIKey of 9-(3-chlorophenyl)-1-methyl-2,3-dihydropyrrolo[2,3-b][1,8]naphthyridin-4-one?
The InChIKey is FSMIXYWDSMZXIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN3O/c1-20-9-7-14-15(22)13-6-3-8-19-16(13)21(17(14)20)12-5-2-4-11(18)10-12/h2-6,8,10H,7,9H2,1H3.
What are the key properties of 9-(3-chlorophenyl)-1-methyl-2,3-dihydropyrrolo[2,3-b][1,8]naphthyridin-4-one?
9-(3-chlorophenyl)-1-methyl-2,3-dihydropyrrolo[2,3-b][1,8]naphthyridin-4-one has a molecular weight of 311.77 g/mol, XLogP of 3.03, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(3-chlorophenyl)-1-methyl-2,3-dihydropyrrolo[2,3-b][1,8]naphthyridin-4-one is sourced from PubChem (CID 14423253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).