3-(5-amino-1H-indol-2-yl)-1H-quinolin-2-one

C17H13N3O — CID 22668309

IUPAC3-(5-amino-1H-indol-2-yl)-1H-quinolin-2-one
SMILESNc1ccc2[nH]c(-c3cc4ccccc4[nH]c3=O)cc2c1
InChIInChI=1S/C17H13N3O/c18-12-5-6-15-11(7-12)9-16(19-15)13-8-10-3-1-2-4-14(10)20-17(13)21/h1-9,19H,18H2,(H,20,21)
InChIKeyIJUUHZJMXNMZRI-UHFFFAOYSA-N
MW275.31 g/mol
LogP3.26
Rot. Bonds1

About 3-(5-amino-1H-indol-2-yl)-1H-quinolin-2-one

3-(5-amino-1H-indol-2-yl)-1H-quinolin-2-one (PubChem CID 22668309) has the molecular formula C17H13N3O and a molecular weight of 275.31 g/mol. Its IUPAC name is 3-(5-amino-1H-indol-2-yl)-1H-quinolin-2-one.

Molecular Properties

Compound Name3-(5-amino-1H-indol-2-yl)-1H-quinolin-2-one
PubChem CID22668309
Molecular FormulaC17H13N3O
Molecular Weight275.31 g/mol
Exact Mass275.11
IUPAC Name3-(5-amino-1H-indol-2-yl)-1H-quinolin-2-one
SMILESNc1ccc2[nH]c(-c3cc4ccccc4[nH]c3=O)cc2c1
InChIInChI=1S/C17H13N3O/c18-12-5-6-15-11(7-12)9-16(19-15)13-8-10-3-1-2-4-14(10)20-17(13)21/h1-9,19H,18H2,(H,20,21)
InChIKeyIJUUHZJMXNMZRI-UHFFFAOYSA-N
XLogP3.26
TPSA74.67 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 53.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(5-amino-1H-indol-2-yl)-1H-quinolin-2-one?
The IUPAC name of 3-(5-amino-1H-indol-2-yl)-1H-quinolin-2-one (CID 22668309) is 3-(5-amino-1H-indol-2-yl)-1H-quinolin-2-one.
What is the SMILES notation for 3-(5-amino-1H-indol-2-yl)-1H-quinolin-2-one?
The canonical SMILES for 3-(5-amino-1H-indol-2-yl)-1H-quinolin-2-one is Nc1ccc2[nH]c(-c3cc4ccccc4[nH]c3=O)cc2c1.
What is the InChIKey of 3-(5-amino-1H-indol-2-yl)-1H-quinolin-2-one?
The InChIKey is IJUUHZJMXNMZRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O/c18-12-5-6-15-11(7-12)9-16(19-15)13-8-10-3-1-2-4-14(10)20-17(13)21/h1-9,19H,18H2,(H,20,21).
What are the key properties of 3-(5-amino-1H-indol-2-yl)-1H-quinolin-2-one?
3-(5-amino-1H-indol-2-yl)-1H-quinolin-2-one has a molecular weight of 275.31 g/mol, XLogP of 3.26, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-amino-1H-indol-2-yl)-1H-quinolin-2-one is sourced from PubChem (CID 22668309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).