2-(8-amino-1,2-dihydroquinolin-2-yl)indene-1,3-dione

C18H14N2O2 — CID 126605328

IUPAC2-(8-amino-1,2-dihydroquinolin-2-yl)indene-1,3-dione
SMILESNc1cccc2c1NC(C1C(=O)c3ccccc3C1=O)C=C2
InChIInChI=1S/C18H14N2O2/c19-13-7-3-4-10-8-9-14(20-16(10)13)15-17(21)11-5-1-2-6-12(11)18(15)22/h1-9,14-15,20H,19H2
InChIKeyRXGSCPUHFBDTTP-UHFFFAOYSA-N
MW290.32 g/mol
LogP2.77
Rot. Bonds1

About 2-(8-amino-1,2-dihydroquinolin-2-yl)indene-1,3-dione

2-(8-amino-1,2-dihydroquinolin-2-yl)indene-1,3-dione (PubChem CID 126605328) has the molecular formula C18H14N2O2 and a molecular weight of 290.32 g/mol. Its IUPAC name is 2-(8-amino-1,2-dihydroquinolin-2-yl)indene-1,3-dione.

Molecular Properties

Compound Name2-(8-amino-1,2-dihydroquinolin-2-yl)indene-1,3-dione
PubChem CID126605328
Molecular FormulaC18H14N2O2
Molecular Weight290.32 g/mol
Exact Mass290.11
IUPAC Name2-(8-amino-1,2-dihydroquinolin-2-yl)indene-1,3-dione
SMILESNc1cccc2c1NC(C1C(=O)c3ccccc3C1=O)C=C2
InChIInChI=1S/C18H14N2O2/c19-13-7-3-4-10-8-9-14(20-16(10)13)15-17(21)11-5-1-2-6-12(11)18(15)22/h1-9,14-15,20H,19H2
InChIKeyRXGSCPUHFBDTTP-UHFFFAOYSA-N
XLogP2.77
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'keto_keto_beta_A(68)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(8-amino-1,2-dihydroquinolin-2-yl)indene-1,3-dione?
The IUPAC name of 2-(8-amino-1,2-dihydroquinolin-2-yl)indene-1,3-dione (CID 126605328) is 2-(8-amino-1,2-dihydroquinolin-2-yl)indene-1,3-dione.
What is the SMILES notation for 2-(8-amino-1,2-dihydroquinolin-2-yl)indene-1,3-dione?
The canonical SMILES for 2-(8-amino-1,2-dihydroquinolin-2-yl)indene-1,3-dione is Nc1cccc2c1NC(C1C(=O)c3ccccc3C1=O)C=C2.
What is the InChIKey of 2-(8-amino-1,2-dihydroquinolin-2-yl)indene-1,3-dione?
The InChIKey is RXGSCPUHFBDTTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O2/c19-13-7-3-4-10-8-9-14(20-16(10)13)15-17(21)11-5-1-2-6-12(11)18(15)22/h1-9,14-15,20H,19H2.
What are the key properties of 2-(8-amino-1,2-dihydroquinolin-2-yl)indene-1,3-dione?
2-(8-amino-1,2-dihydroquinolin-2-yl)indene-1,3-dione has a molecular weight of 290.32 g/mol, XLogP of 2.77, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-amino-1,2-dihydroquinolin-2-yl)indene-1,3-dione is sourced from PubChem (CID 126605328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).