3-[5-(azetidin-1-ylmethyl)-1H-indol-2-yl]-1H-quinolin-2-one

C21H19N3O — CID 10131514

IUPAC3-[5-(azetidin-1-ylmethyl)-1H-indol-2-yl]-1H-quinolin-2-one
SMILESO=c1[nH]c2ccccc2cc1-c1cc2cc(CN3CCC3)ccc2[nH]1
InChIInChI=1S/C21H19N3O/c25-21-17(11-15-4-1-2-5-18(15)23-21)20-12-16-10-14(6-7-19(16)22-20)13-24-8-3-9-24/h1-2,4-7,10-12,22H,3,8-9,13H2,(H,23,25)
InChIKeyTURFUKNRVFKUBJ-UHFFFAOYSA-N
MW329.40 g/mol
LogP3.88
Rot. Bonds3

About 3-[5-(azetidin-1-ylmethyl)-1H-indol-2-yl]-1H-quinolin-2-one

3-[5-(azetidin-1-ylmethyl)-1H-indol-2-yl]-1H-quinolin-2-one (PubChem CID 10131514) has the molecular formula C21H19N3O and a molecular weight of 329.40 g/mol. Its IUPAC name is 3-[5-(azetidin-1-ylmethyl)-1H-indol-2-yl]-1H-quinolin-2-one.

Molecular Properties

Compound Name3-[5-(azetidin-1-ylmethyl)-1H-indol-2-yl]-1H-quinolin-2-one
PubChem CID10131514
Molecular FormulaC21H19N3O
Molecular Weight329.40 g/mol
Exact Mass329.15
IUPAC Name3-[5-(azetidin-1-ylmethyl)-1H-indol-2-yl]-1H-quinolin-2-one
SMILESO=c1[nH]c2ccccc2cc1-c1cc2cc(CN3CCC3)ccc2[nH]1
InChIInChI=1S/C21H19N3O/c25-21-17(11-15-4-1-2-5-18(15)23-21)20-12-16-10-14(6-7-19(16)22-20)13-24-8-3-9-24/h1-2,4-7,10-12,22H,3,8-9,13H2,(H,23,25)
InChIKeyTURFUKNRVFKUBJ-UHFFFAOYSA-N
XLogP3.88
TPSA51.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[5-[(4-acetyl-1,4-diazepan-1-yl)methyl]-1H-indol-2-yl]-1H-quinolin-2-one
CID 22668224
3-[5-[(3-hydroxypyrrolidin-1-yl)methyl]-1H-indol-2-yl]-1H-quinolin-2-one
CID 22668265
3-[5-[(3-aminopyrrolidin-1-yl)methyl]-1H-indol-2-yl]-1H-quinolin-2-one
CID 22668304
N-[[1-[[2-(2-oxo-1H-quinolin-3-yl)-1H-indol-5-yl]methyl]piperidin-4-yl]methyl]methanesulfonamide
CID 10226748
ethyl 3-[4-[[2-(2-oxo-1H-quinolin-3-yl)-1H-indol-5-yl]methyl]piperazin-1-yl]propanoate
CID 20696666
3-[5-[[4-(2-hydroxyacetyl)piperazin-1-yl]methyl]-1H-indol-2-yl]-1H-quinolin-2-one;methanesulfonic acid
CID 10164597
methanesulfonic acid;3-[5-[(4-methyl-5-oxo-1,4-diazepan-1-yl)methyl]-1H-indol-2-yl]-1H-quinolin-2-one
CID 10163766
3-[5-(hydroxymethyl)-1H-indol-2-yl]-1H-quinolin-2-one
CID 174398264
6-(2-methyltetrazol-5-yl)-3-[5-(piperidin-1-ylmethyl)-1H-indol-2-yl]-1H-quinolin-2-one
CID 135908184
3-[5-(methylaminomethyl)-1H-indol-2-yl]-1H-quinolin-2-one
CID 142218394
methanol;3-[5-[(4-methylsulfanylpiperazin-1-ium-1-yl)methyl]-1H-indol-2-yl]-1H-quinolin-2-one
CID 142059869
3-[5-[[(1-methylpyrrolidin-2-yl)methylamino]methyl]-1H-indol-2-yl]-1H-quinolin-2-one
CID 20696637

Frequently Asked Questions

What is the IUPAC name of 3-[5-(azetidin-1-ylmethyl)-1H-indol-2-yl]-1H-quinolin-2-one?
The IUPAC name of 3-[5-(azetidin-1-ylmethyl)-1H-indol-2-yl]-1H-quinolin-2-one (CID 10131514) is 3-[5-(azetidin-1-ylmethyl)-1H-indol-2-yl]-1H-quinolin-2-one.
What is the SMILES notation for 3-[5-(azetidin-1-ylmethyl)-1H-indol-2-yl]-1H-quinolin-2-one?
The canonical SMILES for 3-[5-(azetidin-1-ylmethyl)-1H-indol-2-yl]-1H-quinolin-2-one is O=c1[nH]c2ccccc2cc1-c1cc2cc(CN3CCC3)ccc2[nH]1.
What is the InChIKey of 3-[5-(azetidin-1-ylmethyl)-1H-indol-2-yl]-1H-quinolin-2-one?
The InChIKey is TURFUKNRVFKUBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O/c25-21-17(11-15-4-1-2-5-18(15)23-21)20-12-16-10-14(6-7-19(16)22-20)13-24-8-3-9-24/h1-2,4-7,10-12,22H,3,8-9,13H2,(H,23,25).
What are the key properties of 3-[5-(azetidin-1-ylmethyl)-1H-indol-2-yl]-1H-quinolin-2-one?
3-[5-(azetidin-1-ylmethyl)-1H-indol-2-yl]-1H-quinolin-2-one has a molecular weight of 329.40 g/mol, XLogP of 3.88, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(azetidin-1-ylmethyl)-1H-indol-2-yl]-1H-quinolin-2-one is sourced from PubChem (CID 10131514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).