3-[5-(3-aminopyrrolidine-1-carbonyl)-1H-indol-2-yl]-1H-quinolin-2-one

C22H20N4O2 — CID 5329378

IUPAC3-[5-(3-aminopyrrolidine-1-carbonyl)-1H-indol-2-yl]-1H-quinolin-2-one
SMILESNC1CCN(C(=O)c2ccc3[nH]c(-c4cc5ccccc5[nH]c4=O)cc3c2)C1
InChIInChI=1S/C22H20N4O2/c23-16-7-8-26(12-16)22(28)14-5-6-19-15(9-14)11-20(24-19)17-10-13-3-1-2-4-18(13)25-21(17)27/h1-6,9-11,16,24H,7-8,12,23H2,(H,25,27)
InChIKeyCCVLFWJUTCIGQQ-UHFFFAOYSA-N
MW372.43 g/mol
LogP2.85
Rot. Bonds2

About 3-[5-(3-aminopyrrolidine-1-carbonyl)-1H-indol-2-yl]-1H-quinolin-2-one

3-[5-(3-aminopyrrolidine-1-carbonyl)-1H-indol-2-yl]-1H-quinolin-2-one (PubChem CID 5329378) has the molecular formula C22H20N4O2 and a molecular weight of 372.43 g/mol. Its IUPAC name is 3-[5-(3-aminopyrrolidine-1-carbonyl)-1H-indol-2-yl]-1H-quinolin-2-one.

Molecular Properties

Compound Name3-[5-(3-aminopyrrolidine-1-carbonyl)-1H-indol-2-yl]-1H-quinolin-2-one
PubChem CID5329378
Molecular FormulaC22H20N4O2
Molecular Weight372.43 g/mol
Exact Mass372.16
IUPAC Name3-[5-(3-aminopyrrolidine-1-carbonyl)-1H-indol-2-yl]-1H-quinolin-2-one
SMILESNC1CCN(C(=O)c2ccc3[nH]c(-c4cc5ccccc5[nH]c4=O)cc3c2)C1
InChIInChI=1S/C22H20N4O2/c23-16-7-8-26(12-16)22(28)14-5-6-19-15(9-14)11-20(24-19)17-10-13-3-1-2-4-18(13)25-21(17)27/h1-6,9-11,16,24H,7-8,12,23H2,(H,25,27)
InChIKeyCCVLFWJUTCIGQQ-UHFFFAOYSA-N
XLogP2.85
TPSA94.98 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 52.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(3-aminopyrrolidine-1-carbonyl)-1H-indol-2-yl]-1H-quinolin-2-one?
The IUPAC name of 3-[5-(3-aminopyrrolidine-1-carbonyl)-1H-indol-2-yl]-1H-quinolin-2-one (CID 5329378) is 3-[5-(3-aminopyrrolidine-1-carbonyl)-1H-indol-2-yl]-1H-quinolin-2-one.
What is the SMILES notation for 3-[5-(3-aminopyrrolidine-1-carbonyl)-1H-indol-2-yl]-1H-quinolin-2-one?
The canonical SMILES for 3-[5-(3-aminopyrrolidine-1-carbonyl)-1H-indol-2-yl]-1H-quinolin-2-one is NC1CCN(C(=O)c2ccc3[nH]c(-c4cc5ccccc5[nH]c4=O)cc3c2)C1.
What is the InChIKey of 3-[5-(3-aminopyrrolidine-1-carbonyl)-1H-indol-2-yl]-1H-quinolin-2-one?
The InChIKey is CCVLFWJUTCIGQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O2/c23-16-7-8-26(12-16)22(28)14-5-6-19-15(9-14)11-20(24-19)17-10-13-3-1-2-4-18(13)25-21(17)27/h1-6,9-11,16,24H,7-8,12,23H2,(H,25,27).
What are the key properties of 3-[5-(3-aminopyrrolidine-1-carbonyl)-1H-indol-2-yl]-1H-quinolin-2-one?
3-[5-(3-aminopyrrolidine-1-carbonyl)-1H-indol-2-yl]-1H-quinolin-2-one has a molecular weight of 372.43 g/mol, XLogP of 2.85, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(3-aminopyrrolidine-1-carbonyl)-1H-indol-2-yl]-1H-quinolin-2-one is sourced from PubChem (CID 5329378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).