11-amino-2-phenyl-7,8,9,10-tetrahydro-6H-cyclohepta[b][1,6]naphthyridin-1-one

C19H19N3O — CID 664775

IUPAC11-amino-2-phenyl-7,8,9,10-tetrahydro-6H-cyclohepta[b][1,6]naphthyridin-1-one
SMILESNc1c2c(nc3ccn(-c4ccccc4)c(=O)c13)CCCCC2
InChIInChI=1S/C19H19N3O/c20-18-14-9-5-2-6-10-15(14)21-16-11-12-22(19(23)17(16)18)13-7-3-1-4-8-13/h1,3-4,7-8,11-12H,2,5-6,9-10H2,(H2,20,21)
InChIKeyWCIKATKAUVLGJH-UHFFFAOYSA-N
MW305.38 g/mol
LogP3.24
Rot. Bonds1

About 11-amino-2-phenyl-7,8,9,10-tetrahydro-6H-cyclohepta[b][1,6]naphthyridin-1-one

11-amino-2-phenyl-7,8,9,10-tetrahydro-6H-cyclohepta[b][1,6]naphthyridin-1-one (PubChem CID 664775) has the molecular formula C19H19N3O and a molecular weight of 305.38 g/mol. Its IUPAC name is 11-amino-2-phenyl-7,8,9,10-tetrahydro-6H-cyclohepta[b][1,6]naphthyridin-1-one.

Molecular Properties

Compound Name11-amino-2-phenyl-7,8,9,10-tetrahydro-6H-cyclohepta[b][1,6]naphthyridin-1-one
PubChem CID664775
Molecular FormulaC19H19N3O
Molecular Weight305.38 g/mol
Exact Mass305.15
IUPAC Name11-amino-2-phenyl-7,8,9,10-tetrahydro-6H-cyclohepta[b][1,6]naphthyridin-1-one
SMILESNc1c2c(nc3ccn(-c4ccccc4)c(=O)c13)CCCCC2
InChIInChI=1S/C19H19N3O/c20-18-14-9-5-2-6-10-15(14)21-16-11-12-22(19(23)17(16)18)13-7-3-1-4-8-13/h1,3-4,7-8,11-12H,2,5-6,9-10H2,(H2,20,21)
InChIKeyWCIKATKAUVLGJH-UHFFFAOYSA-N
XLogP3.24
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 11-amino-2-phenyl-7,8,9,10-tetrahydro-6H-cyclohepta[b][1,6]naphthyridin-1-one?
The IUPAC name of 11-amino-2-phenyl-7,8,9,10-tetrahydro-6H-cyclohepta[b][1,6]naphthyridin-1-one (CID 664775) is 11-amino-2-phenyl-7,8,9,10-tetrahydro-6H-cyclohepta[b][1,6]naphthyridin-1-one.
What is the SMILES notation for 11-amino-2-phenyl-7,8,9,10-tetrahydro-6H-cyclohepta[b][1,6]naphthyridin-1-one?
The canonical SMILES for 11-amino-2-phenyl-7,8,9,10-tetrahydro-6H-cyclohepta[b][1,6]naphthyridin-1-one is Nc1c2c(nc3ccn(-c4ccccc4)c(=O)c13)CCCCC2.
What is the InChIKey of 11-amino-2-phenyl-7,8,9,10-tetrahydro-6H-cyclohepta[b][1,6]naphthyridin-1-one?
The InChIKey is WCIKATKAUVLGJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O/c20-18-14-9-5-2-6-10-15(14)21-16-11-12-22(19(23)17(16)18)13-7-3-1-4-8-13/h1,3-4,7-8,11-12H,2,5-6,9-10H2,(H2,20,21).
What are the key properties of 11-amino-2-phenyl-7,8,9,10-tetrahydro-6H-cyclohepta[b][1,6]naphthyridin-1-one?
11-amino-2-phenyl-7,8,9,10-tetrahydro-6H-cyclohepta[b][1,6]naphthyridin-1-one has a molecular weight of 305.38 g/mol, XLogP of 3.24, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 11-amino-2-phenyl-7,8,9,10-tetrahydro-6H-cyclohepta[b][1,6]naphthyridin-1-one is sourced from PubChem (CID 664775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).