[1-[2-(2-oxo-1H-quinolin-3-yl)-1H-indole-5-carbonyl]pyrrolidin-3-yl]azanium

C22H21N4O2+ — CID 20696588

IUPAC[1-[2-(2-oxo-1H-quinolin-3-yl)-1H-indole-5-carbonyl]pyrrolidin-3-yl]azanium
SMILES[NH3+]C1CCN(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)/p+1
InChIKeyCCVLFWJUTCIGQQ-UHFFFAOYSA-O
MW373.44 g/mol
LogP2.13
Rot. Bonds2

About [1-[2-(2-oxo-1H-quinolin-3-yl)-1H-indole-5-carbonyl]pyrrolidin-3-yl]azanium

[1-[2-(2-oxo-1H-quinolin-3-yl)-1H-indole-5-carbonyl]pyrrolidin-3-yl]azanium (PubChem CID 20696588) has the molecular formula C22H21N4O2+ and a molecular weight of 373.44 g/mol. Its IUPAC name is [1-[2-(2-oxo-1H-quinolin-3-yl)-1H-indole-5-carbonyl]pyrrolidin-3-yl]azanium.

Molecular Properties

Compound Name[1-[2-(2-oxo-1H-quinolin-3-yl)-1H-indole-5-carbonyl]pyrrolidin-3-yl]azanium
PubChem CID20696588
Molecular FormulaC22H21N4O2+
Molecular Weight373.44 g/mol
Exact Mass373.17
IUPAC Name[1-[2-(2-oxo-1H-quinolin-3-yl)-1H-indole-5-carbonyl]pyrrolidin-3-yl]azanium
SMILES[NH3+]C1CCN(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)/p+1
InChIKeyCCVLFWJUTCIGQQ-UHFFFAOYSA-O
XLogP2.13
TPSA96.60 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.44
LogP ≤ 52.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze [1-[2-(2-oxo-1H-quinolin-3-yl)-1H-indole-5-carbonyl]pyrrolidin-3-yl]azanium with MolForge

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Related Compounds

3-[5-[(3-hydroxypyrrolidin-1-yl)methyl]-1H-indol-2-yl]-1H-quinolin-2-one
CID 22668265
3-(5-amino-1H-indol-2-yl)-1H-quinolin-2-one
CID 22668309
3-(5-imidazolidin-1-ylsulfonyl-1H-indol-2-yl)-1H-quinolin-2-one
CID 10178750
3-[5-[(3-aminopyrrolidin-1-yl)methyl]-1H-indol-2-yl]-1H-quinolin-2-one
CID 22668304
3-[5-(hydroxymethyl)-1H-indol-2-yl]-1H-quinolin-2-one
CID 174398264
N-(3-aminopropyl)-3-(1H-indol-2-yl)-2-oxo-1H-quinoline-6-carboxamide
CID 46935281
3-[5-(azetidin-1-ylmethyl)-1H-indol-2-yl]-1H-quinolin-2-one
CID 10131514
3-[5-[(4-acetyl-1,4-diazepan-1-yl)methyl]-1H-indol-2-yl]-1H-quinolin-2-one
CID 22668224
3-[5-[[4-(2-hydroxyacetyl)piperazin-1-yl]methyl]-1H-indol-2-yl]-1H-quinolin-2-one;methanesulfonic acid
CID 10164597
(3,4-difluorophenyl)-[3-(1H-indol-2-yl)pyrrolidin-1-yl]methanone
CID 113088344
N-[[1-[[2-(2-oxo-1H-quinolin-3-yl)-1H-indol-5-yl]methyl]piperidin-4-yl]methyl]methanesulfonamide
CID 10226748
4-[[1-(2-oxo-1H-quinoline-3-carbonyl)pyrrolidin-3-yl]methyl]benzoic acid
CID 70737695

Frequently Asked Questions

What is the IUPAC name of [1-[2-(2-oxo-1H-quinolin-3-yl)-1H-indole-5-carbonyl]pyrrolidin-3-yl]azanium?
The IUPAC name of [1-[2-(2-oxo-1H-quinolin-3-yl)-1H-indole-5-carbonyl]pyrrolidin-3-yl]azanium (CID 20696588) is [1-[2-(2-oxo-1H-quinolin-3-yl)-1H-indole-5-carbonyl]pyrrolidin-3-yl]azanium.
What is the SMILES notation for [1-[2-(2-oxo-1H-quinolin-3-yl)-1H-indole-5-carbonyl]pyrrolidin-3-yl]azanium?
The canonical SMILES for [1-[2-(2-oxo-1H-quinolin-3-yl)-1H-indole-5-carbonyl]pyrrolidin-3-yl]azanium is [NH3+]C1CCN(C(=O)c2ccc3[nH]c(-c4cc5ccccc5[nH]c4=O)cc3c2)C1.
What is the InChIKey of [1-[2-(2-oxo-1H-quinolin-3-yl)-1H-indole-5-carbonyl]pyrrolidin-3-yl]azanium?
The InChIKey is CCVLFWJUTCIGQQ-UHFFFAOYSA-O. 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)/p+1.
What are the key properties of [1-[2-(2-oxo-1H-quinolin-3-yl)-1H-indole-5-carbonyl]pyrrolidin-3-yl]azanium?
[1-[2-(2-oxo-1H-quinolin-3-yl)-1H-indole-5-carbonyl]pyrrolidin-3-yl]azanium has a molecular weight of 373.44 g/mol, XLogP of 2.13, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(2-oxo-1H-quinolin-3-yl)-1H-indole-5-carbonyl]pyrrolidin-3-yl]azanium is sourced from PubChem (CID 20696588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).