2-(2-oxo-1H-quinolin-3-yl)-N-pyrrolidin-3-yl-1H-indole-5-carboxamide

C22H20N4O2 — CID 5329379

IUPAC2-(2-oxo-1H-quinolin-3-yl)-N-pyrrolidin-3-yl-1H-indole-5-carboxamide
SMILESO=C(NC1CCNC1)c1ccc2[nH]c(-c3cc4ccccc4[nH]c3=O)cc2c1
InChIInChI=1S/C22H20N4O2/c27-21(24-16-7-8-23-12-16)14-5-6-19-15(9-14)11-20(25-19)17-10-13-3-1-2-4-18(13)26-22(17)28/h1-6,9-11,16,23,25H,7-8,12H2,(H,24,27)(H,26,28)
InChIKeyXINNQVHBRVROQD-UHFFFAOYSA-N
MW372.43 g/mol
LogP2.77
Rot. Bonds3

About 2-(2-oxo-1H-quinolin-3-yl)-N-pyrrolidin-3-yl-1H-indole-5-carboxamide

2-(2-oxo-1H-quinolin-3-yl)-N-pyrrolidin-3-yl-1H-indole-5-carboxamide (PubChem CID 5329379) has the molecular formula C22H20N4O2 and a molecular weight of 372.43 g/mol. Its IUPAC name is 2-(2-oxo-1H-quinolin-3-yl)-N-pyrrolidin-3-yl-1H-indole-5-carboxamide.

Molecular Properties

Compound Name2-(2-oxo-1H-quinolin-3-yl)-N-pyrrolidin-3-yl-1H-indole-5-carboxamide
PubChem CID5329379
Molecular FormulaC22H20N4O2
Molecular Weight372.43 g/mol
Exact Mass372.16
IUPAC Name2-(2-oxo-1H-quinolin-3-yl)-N-pyrrolidin-3-yl-1H-indole-5-carboxamide
SMILESO=C(NC1CCNC1)c1ccc2[nH]c(-c3cc4ccccc4[nH]c3=O)cc2c1
InChIInChI=1S/C22H20N4O2/c27-21(24-16-7-8-23-12-16)14-5-6-19-15(9-14)11-20(25-19)17-10-13-3-1-2-4-18(13)26-22(17)28/h1-6,9-11,16,23,25H,7-8,12H2,(H,24,27)(H,26,28)
InChIKeyXINNQVHBRVROQD-UHFFFAOYSA-N
XLogP2.77
TPSA89.78 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 52.77
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-oxo-1H-quinolin-3-yl)-N-pyrrolidin-3-yl-1H-indole-5-carboxamide?
The IUPAC name of 2-(2-oxo-1H-quinolin-3-yl)-N-pyrrolidin-3-yl-1H-indole-5-carboxamide (CID 5329379) is 2-(2-oxo-1H-quinolin-3-yl)-N-pyrrolidin-3-yl-1H-indole-5-carboxamide.
What is the SMILES notation for 2-(2-oxo-1H-quinolin-3-yl)-N-pyrrolidin-3-yl-1H-indole-5-carboxamide?
The canonical SMILES for 2-(2-oxo-1H-quinolin-3-yl)-N-pyrrolidin-3-yl-1H-indole-5-carboxamide is O=C(NC1CCNC1)c1ccc2[nH]c(-c3cc4ccccc4[nH]c3=O)cc2c1.
What is the InChIKey of 2-(2-oxo-1H-quinolin-3-yl)-N-pyrrolidin-3-yl-1H-indole-5-carboxamide?
The InChIKey is XINNQVHBRVROQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O2/c27-21(24-16-7-8-23-12-16)14-5-6-19-15(9-14)11-20(25-19)17-10-13-3-1-2-4-18(13)26-22(17)28/h1-6,9-11,16,23,25H,7-8,12H2,(H,24,27)(H,26,28).
What are the key properties of 2-(2-oxo-1H-quinolin-3-yl)-N-pyrrolidin-3-yl-1H-indole-5-carboxamide?
2-(2-oxo-1H-quinolin-3-yl)-N-pyrrolidin-3-yl-1H-indole-5-carboxamide has a molecular weight of 372.43 g/mol, XLogP of 2.77, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxo-1H-quinolin-3-yl)-N-pyrrolidin-3-yl-1H-indole-5-carboxamide is sourced from PubChem (CID 5329379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).