N-[2-(1H-indol-2-yl)-5,8-dioxoquinolin-7-yl]acetamide

C19H13N3O3 — CID 71661701

IUPACN-[2-(1H-indol-2-yl)-5,8-dioxoquinolin-7-yl]acetamide
SMILESCC(=O)NC1=CC(=O)c2ccc(-c3cc4ccccc4[nH]3)nc2C1=O
InChIInChI=1S/C19H13N3O3/c1-10(23)20-16-9-17(24)12-6-7-14(22-18(12)19(16)25)15-8-11-4-2-3-5-13(11)21-15/h2-9,21H,1H3,(H,20,23)
InChIKeyXDNOCYZBEOQLKY-UHFFFAOYSA-N
MW331.33 g/mol
LogP2.63
Rot. Bonds2

About N-[2-(1H-indol-2-yl)-5,8-dioxoquinolin-7-yl]acetamide

N-[2-(1H-indol-2-yl)-5,8-dioxoquinolin-7-yl]acetamide (PubChem CID 71661701) has the molecular formula C19H13N3O3 and a molecular weight of 331.33 g/mol. Its IUPAC name is N-[2-(1H-indol-2-yl)-5,8-dioxoquinolin-7-yl]acetamide.

Molecular Properties

Compound NameN-[2-(1H-indol-2-yl)-5,8-dioxoquinolin-7-yl]acetamide
PubChem CID71661701
Molecular FormulaC19H13N3O3
Molecular Weight331.33 g/mol
Exact Mass331.10
IUPAC NameN-[2-(1H-indol-2-yl)-5,8-dioxoquinolin-7-yl]acetamide
SMILESCC(=O)NC1=CC(=O)c2ccc(-c3cc4ccccc4[nH]3)nc2C1=O
InChIInChI=1S/C19H13N3O3/c1-10(23)20-16-9-17(24)12-6-7-14(22-18(12)19(16)25)15-8-11-4-2-3-5-13(11)21-15/h2-9,21H,1H3,(H,20,23)
InChIKeyXDNOCYZBEOQLKY-UHFFFAOYSA-N
XLogP2.63
TPSA91.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.33
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-indol-2-yl)-5,8-dioxoquinolin-7-yl]acetamide?
The IUPAC name of N-[2-(1H-indol-2-yl)-5,8-dioxoquinolin-7-yl]acetamide (CID 71661701) is N-[2-(1H-indol-2-yl)-5,8-dioxoquinolin-7-yl]acetamide.
What is the SMILES notation for N-[2-(1H-indol-2-yl)-5,8-dioxoquinolin-7-yl]acetamide?
The canonical SMILES for N-[2-(1H-indol-2-yl)-5,8-dioxoquinolin-7-yl]acetamide is CC(=O)NC1=CC(=O)c2ccc(-c3cc4ccccc4[nH]3)nc2C1=O.
What is the InChIKey of N-[2-(1H-indol-2-yl)-5,8-dioxoquinolin-7-yl]acetamide?
The InChIKey is XDNOCYZBEOQLKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13N3O3/c1-10(23)20-16-9-17(24)12-6-7-14(22-18(12)19(16)25)15-8-11-4-2-3-5-13(11)21-15/h2-9,21H,1H3,(H,20,23).
What are the key properties of N-[2-(1H-indol-2-yl)-5,8-dioxoquinolin-7-yl]acetamide?
N-[2-(1H-indol-2-yl)-5,8-dioxoquinolin-7-yl]acetamide has a molecular weight of 331.33 g/mol, XLogP of 2.63, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-indol-2-yl)-5,8-dioxoquinolin-7-yl]acetamide is sourced from PubChem (CID 71661701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).