9-amino-2-(4-methylphenyl)-7,8-dihydro-6H-cyclopenta[b][1,6]naphthyridin-1-one

C18H17N3O — CID 2838610

IUPAC9-amino-2-(4-methylphenyl)-7,8-dihydro-6H-cyclopenta[b][1,6]naphthyridin-1-one
SMILESCc1ccc(-n2ccc3nc4c(c(N)c3c2=O)CCC4)cc1
InChIInChI=1S/C18H17N3O/c1-11-5-7-12(8-6-11)21-10-9-15-16(18(21)22)17(19)13-3-2-4-14(13)20-15/h5-10H,2-4H2,1H3,(H2,19,20)
InChIKeySTQYEPQJZWCESQ-UHFFFAOYSA-N
MW291.35 g/mol
LogP2.77
Rot. Bonds1

About 9-amino-2-(4-methylphenyl)-7,8-dihydro-6H-cyclopenta[b][1,6]naphthyridin-1-one

9-amino-2-(4-methylphenyl)-7,8-dihydro-6H-cyclopenta[b][1,6]naphthyridin-1-one (PubChem CID 2838610) has the molecular formula C18H17N3O and a molecular weight of 291.35 g/mol. Its IUPAC name is 9-amino-2-(4-methylphenyl)-7,8-dihydro-6H-cyclopenta[b][1,6]naphthyridin-1-one.

Molecular Properties

Compound Name9-amino-2-(4-methylphenyl)-7,8-dihydro-6H-cyclopenta[b][1,6]naphthyridin-1-one
PubChem CID2838610
Molecular FormulaC18H17N3O
Molecular Weight291.35 g/mol
Exact Mass291.14
IUPAC Name9-amino-2-(4-methylphenyl)-7,8-dihydro-6H-cyclopenta[b][1,6]naphthyridin-1-one
SMILESCc1ccc(-n2ccc3nc4c(c(N)c3c2=O)CCC4)cc1
InChIInChI=1S/C18H17N3O/c1-11-5-7-12(8-6-11)21-10-9-15-16(18(21)22)17(19)13-3-2-4-14(13)20-15/h5-10H,2-4H2,1H3,(H2,19,20)
InChIKeySTQYEPQJZWCESQ-UHFFFAOYSA-N
XLogP2.77
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 9-amino-2-(4-methylphenyl)-7,8-dihydro-6H-cyclopenta[b][1,6]naphthyridin-1-one?
The IUPAC name of 9-amino-2-(4-methylphenyl)-7,8-dihydro-6H-cyclopenta[b][1,6]naphthyridin-1-one (CID 2838610) is 9-amino-2-(4-methylphenyl)-7,8-dihydro-6H-cyclopenta[b][1,6]naphthyridin-1-one.
What is the SMILES notation for 9-amino-2-(4-methylphenyl)-7,8-dihydro-6H-cyclopenta[b][1,6]naphthyridin-1-one?
The canonical SMILES for 9-amino-2-(4-methylphenyl)-7,8-dihydro-6H-cyclopenta[b][1,6]naphthyridin-1-one is Cc1ccc(-n2ccc3nc4c(c(N)c3c2=O)CCC4)cc1.
What is the InChIKey of 9-amino-2-(4-methylphenyl)-7,8-dihydro-6H-cyclopenta[b][1,6]naphthyridin-1-one?
The InChIKey is STQYEPQJZWCESQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O/c1-11-5-7-12(8-6-11)21-10-9-15-16(18(21)22)17(19)13-3-2-4-14(13)20-15/h5-10H,2-4H2,1H3,(H2,19,20).
What are the key properties of 9-amino-2-(4-methylphenyl)-7,8-dihydro-6H-cyclopenta[b][1,6]naphthyridin-1-one?
9-amino-2-(4-methylphenyl)-7,8-dihydro-6H-cyclopenta[b][1,6]naphthyridin-1-one has a molecular weight of 291.35 g/mol, XLogP of 2.77, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-amino-2-(4-methylphenyl)-7,8-dihydro-6H-cyclopenta[b][1,6]naphthyridin-1-one is sourced from PubChem (CID 2838610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).