1H-indole;pyridine;quinoline

C22H19N3 — CID 158744845

IUPAC1H-indole;pyridine;quinoline
SMILESc1ccc2[nH]ccc2c1.c1ccc2ncccc2c1.c1ccncc1
InChIInChI=1S/C9H7N.C8H7N.C5H5N/c1-2-6-9-8(4-1)5-3-7-10-9;1-2-4-8-7(3-1)5-6-9-8;1-2-4-6-5-3-1/h1-7H;1-6,9H;1-5H
InChIKeyIMTIEXMSEFYYMX-UHFFFAOYSA-N
MW325.42 g/mol
LogP5.48
Rot. Bonds

About 1H-indole;pyridine;quinoline

1H-indole;pyridine;quinoline (PubChem CID 158744845) has the molecular formula C22H19N3 and a molecular weight of 325.42 g/mol. Its IUPAC name is 1H-indole;pyridine;quinoline.

Molecular Properties

Compound Name1H-indole;pyridine;quinoline
PubChem CID158744845
Molecular FormulaC22H19N3
Molecular Weight325.42 g/mol
Exact Mass325.16
IUPAC Name1H-indole;pyridine;quinoline
SMILESc1ccc2[nH]ccc2c1.c1ccc2ncccc2c1.c1ccncc1
InChIInChI=1S/C9H7N.C8H7N.C5H5N/c1-2-6-9-8(4-1)5-3-7-10-9;1-2-4-8-7(3-1)5-6-9-8;1-2-4-6-5-3-1/h1-7H;1-6,9H;1-5H
InChIKeyIMTIEXMSEFYYMX-UHFFFAOYSA-N
XLogP5.48
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.42
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1H-indole;pyridine;quinoline?
The IUPAC name of 1H-indole;pyridine;quinoline (CID 158744845) is 1H-indole;pyridine;quinoline.
What is the SMILES notation for 1H-indole;pyridine;quinoline?
The canonical SMILES for 1H-indole;pyridine;quinoline is c1ccc2[nH]ccc2c1.c1ccc2ncccc2c1.c1ccncc1.
What is the InChIKey of 1H-indole;pyridine;quinoline?
The InChIKey is IMTIEXMSEFYYMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N.C8H7N.C5H5N/c1-2-6-9-8(4-1)5-3-7-10-9;1-2-4-8-7(3-1)5-6-9-8;1-2-4-6-5-3-1/h1-7H;1-6,9H;1-5H.
What are the key properties of 1H-indole;pyridine;quinoline?
1H-indole;pyridine;quinoline has a molecular weight of 325.42 g/mol, XLogP of 5.48, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indole;pyridine;quinoline is sourced from PubChem (CID 158744845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).