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

C20H18N4O3S — CID 10178750

IUPAC3-(5-imidazolidin-1-ylsulfonyl-1H-indol-2-yl)-1H-quinolin-2-one
SMILESO=c1[nH]c2ccccc2cc1-c1cc2cc(S(=O)(=O)N3CCNC3)ccc2[nH]1
InChIInChI=1S/C20H18N4O3S/c25-20-16(10-13-3-1-2-4-17(13)23-20)19-11-14-9-15(5-6-18(14)22-19)28(26,27)24-8-7-21-12-24/h1-6,9-11,21-22H,7-8,12H2,(H,23,25)
InChIKeyWTEPRQAZUJSHBD-UHFFFAOYSA-N
MW394.46 g/mol
LogP2.23
Rot. Bonds3

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

3-(5-imidazolidin-1-ylsulfonyl-1H-indol-2-yl)-1H-quinolin-2-one (PubChem CID 10178750) has the molecular formula C20H18N4O3S and a molecular weight of 394.46 g/mol. Its IUPAC name is 3-(5-imidazolidin-1-ylsulfonyl-1H-indol-2-yl)-1H-quinolin-2-one.

Molecular Properties

Compound Name3-(5-imidazolidin-1-ylsulfonyl-1H-indol-2-yl)-1H-quinolin-2-one
PubChem CID10178750
Molecular FormulaC20H18N4O3S
Molecular Weight394.46 g/mol
Exact Mass394.11
IUPAC Name3-(5-imidazolidin-1-ylsulfonyl-1H-indol-2-yl)-1H-quinolin-2-one
SMILESO=c1[nH]c2ccccc2cc1-c1cc2cc(S(=O)(=O)N3CCNC3)ccc2[nH]1
InChIInChI=1S/C20H18N4O3S/c25-20-16(10-13-3-1-2-4-17(13)23-20)19-11-14-9-15(5-6-18(14)22-19)28(26,27)24-8-7-21-12-24/h1-6,9-11,21-22H,7-8,12H2,(H,23,25)
InChIKeyWTEPRQAZUJSHBD-UHFFFAOYSA-N
XLogP2.23
TPSA98.06 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.46
LogP ≤ 52.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-oxo-1H-quinolin-3-yl)-1H-indole-6-sulfonamide
CID 142239743
3-(5-amino-1H-indol-2-yl)-1H-quinolin-2-one
CID 22668309
3-[5-(azetidin-1-ylmethyl)-1H-indol-2-yl]-1H-quinolin-2-one
CID 10131514
[1-[2-(2-oxo-1H-quinolin-3-yl)-1H-indole-5-carbonyl]pyrrolidin-3-yl]azanium
CID 20696588
3-[5-(hydroxymethyl)-1H-indol-2-yl]-1H-quinolin-2-one
CID 174398264
3-[5-(methylaminomethyl)-1H-indol-2-yl]-1H-quinolin-2-one
CID 142218394
N-[[1-[[2-(2-oxo-1H-quinolin-3-yl)-1H-indol-5-yl]methyl]piperidin-4-yl]methyl]methanesulfonamide
CID 10226748
methanol;3-[5-[(4-methylsulfanylpiperazin-1-ium-1-yl)methyl]-1H-indol-2-yl]-1H-quinolin-2-one
CID 142059869
3-[5-[[methyl(piperidin-4-yl)amino]methyl]-1H-indol-2-yl]-1H-quinolin-2-one
CID 20696650
N-(2-methoxyethyl)-N-[[2-(2-oxo-1H-quinolin-3-yl)-1H-indol-5-yl]methyl]methanesulfonamide
CID 22668226
1-[4-(azetidin-1-ylsulfonyl)-2-(1H-indol-2-yl)phenyl]azetidin-3-ol
CID 168941045
3-[5-[(3-hydroxypyrrolidin-1-yl)methyl]-1H-indol-2-yl]-1H-quinolin-2-one
CID 22668265

Frequently Asked Questions

What is the IUPAC name of 3-(5-imidazolidin-1-ylsulfonyl-1H-indol-2-yl)-1H-quinolin-2-one?
The IUPAC name of 3-(5-imidazolidin-1-ylsulfonyl-1H-indol-2-yl)-1H-quinolin-2-one (CID 10178750) is 3-(5-imidazolidin-1-ylsulfonyl-1H-indol-2-yl)-1H-quinolin-2-one.
What is the SMILES notation for 3-(5-imidazolidin-1-ylsulfonyl-1H-indol-2-yl)-1H-quinolin-2-one?
The canonical SMILES for 3-(5-imidazolidin-1-ylsulfonyl-1H-indol-2-yl)-1H-quinolin-2-one is O=c1[nH]c2ccccc2cc1-c1cc2cc(S(=O)(=O)N3CCNC3)ccc2[nH]1.
What is the InChIKey of 3-(5-imidazolidin-1-ylsulfonyl-1H-indol-2-yl)-1H-quinolin-2-one?
The InChIKey is WTEPRQAZUJSHBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O3S/c25-20-16(10-13-3-1-2-4-17(13)23-20)19-11-14-9-15(5-6-18(14)22-19)28(26,27)24-8-7-21-12-24/h1-6,9-11,21-22H,7-8,12H2,(H,23,25).
What are the key properties of 3-(5-imidazolidin-1-ylsulfonyl-1H-indol-2-yl)-1H-quinolin-2-one?
3-(5-imidazolidin-1-ylsulfonyl-1H-indol-2-yl)-1H-quinolin-2-one has a molecular weight of 394.46 g/mol, XLogP of 2.23, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-imidazolidin-1-ylsulfonyl-1H-indol-2-yl)-1H-quinolin-2-one is sourced from PubChem (CID 10178750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).