9-amino-2-benzyl-7,8-dihydro-6H-cyclopenta[b][1,6]naphthyridin-1-one

C18H17N3O — CID 664841

IUPAC9-amino-2-benzyl-7,8-dihydro-6H-cyclopenta[b][1,6]naphthyridin-1-one
SMILESNc1c2c(nc3ccn(Cc4ccccc4)c(=O)c13)CCC2
InChIInChI=1S/C18H17N3O/c19-17-13-7-4-8-14(13)20-15-9-10-21(18(22)16(15)17)11-12-5-2-1-3-6-12/h1-3,5-6,9-10H,4,7-8,11H2,(H2,19,20)
InChIKeyUUUYAYQNQJMOBK-UHFFFAOYSA-N
MW291.35 g/mol
LogP2.52
Rot. Bonds2

About 9-amino-2-benzyl-7,8-dihydro-6H-cyclopenta[b][1,6]naphthyridin-1-one

9-amino-2-benzyl-7,8-dihydro-6H-cyclopenta[b][1,6]naphthyridin-1-one (PubChem CID 664841) has the molecular formula C18H17N3O and a molecular weight of 291.35 g/mol. Its IUPAC name is 9-amino-2-benzyl-7,8-dihydro-6H-cyclopenta[b][1,6]naphthyridin-1-one.

Molecular Properties

Compound Name9-amino-2-benzyl-7,8-dihydro-6H-cyclopenta[b][1,6]naphthyridin-1-one
PubChem CID664841
Molecular FormulaC18H17N3O
Molecular Weight291.35 g/mol
Exact Mass291.14
IUPAC Name9-amino-2-benzyl-7,8-dihydro-6H-cyclopenta[b][1,6]naphthyridin-1-one
SMILESNc1c2c(nc3ccn(Cc4ccccc4)c(=O)c13)CCC2
InChIInChI=1S/C18H17N3O/c19-17-13-7-4-8-14(13)20-15-9-10-21(18(22)16(15)17)11-12-5-2-1-3-6-12/h1-3,5-6,9-10H,4,7-8,11H2,(H2,19,20)
InChIKeyUUUYAYQNQJMOBK-UHFFFAOYSA-N
XLogP2.52
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 9-amino-2-benzyl-7,8-dihydro-6H-cyclopenta[b][1,6]naphthyridin-1-one?
The IUPAC name of 9-amino-2-benzyl-7,8-dihydro-6H-cyclopenta[b][1,6]naphthyridin-1-one (CID 664841) is 9-amino-2-benzyl-7,8-dihydro-6H-cyclopenta[b][1,6]naphthyridin-1-one.
What is the SMILES notation for 9-amino-2-benzyl-7,8-dihydro-6H-cyclopenta[b][1,6]naphthyridin-1-one?
The canonical SMILES for 9-amino-2-benzyl-7,8-dihydro-6H-cyclopenta[b][1,6]naphthyridin-1-one is Nc1c2c(nc3ccn(Cc4ccccc4)c(=O)c13)CCC2.
What is the InChIKey of 9-amino-2-benzyl-7,8-dihydro-6H-cyclopenta[b][1,6]naphthyridin-1-one?
The InChIKey is UUUYAYQNQJMOBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O/c19-17-13-7-4-8-14(13)20-15-9-10-21(18(22)16(15)17)11-12-5-2-1-3-6-12/h1-3,5-6,9-10H,4,7-8,11H2,(H2,19,20).
What are the key properties of 9-amino-2-benzyl-7,8-dihydro-6H-cyclopenta[b][1,6]naphthyridin-1-one?
9-amino-2-benzyl-7,8-dihydro-6H-cyclopenta[b][1,6]naphthyridin-1-one has a molecular weight of 291.35 g/mol, XLogP of 2.52, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-amino-2-benzyl-7,8-dihydro-6H-cyclopenta[b][1,6]naphthyridin-1-one is sourced from PubChem (CID 664841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).