3-[5-(4-methylpiperazine-1-carbonyl)-1H-indol-2-yl]-1H-quinolin-2-one

C23H22N4O2 — CID 5329376

IUPAC3-[5-(4-methylpiperazine-1-carbonyl)-1H-indol-2-yl]-1H-quinolin-2-one
SMILESCN1CCN(C(=O)c2ccc3[nH]c(-c4cc5ccccc5[nH]c4=O)cc3c2)CC1
InChIInChI=1S/C23H22N4O2/c1-26-8-10-27(11-9-26)23(29)16-6-7-20-17(12-16)14-21(24-20)18-13-15-4-2-3-5-19(15)25-22(18)28/h2-7,12-14,24H,8-11H2,1H3,(H,25,28)
InChIKeyFINHYBFECTZECE-UHFFFAOYSA-N
MW386.46 g/mol
LogP3.06
Rot. Bonds2

About 3-[5-(4-methylpiperazine-1-carbonyl)-1H-indol-2-yl]-1H-quinolin-2-one

3-[5-(4-methylpiperazine-1-carbonyl)-1H-indol-2-yl]-1H-quinolin-2-one (PubChem CID 5329376) has the molecular formula C23H22N4O2 and a molecular weight of 386.46 g/mol. Its IUPAC name is 3-[5-(4-methylpiperazine-1-carbonyl)-1H-indol-2-yl]-1H-quinolin-2-one.

Molecular Properties

Compound Name3-[5-(4-methylpiperazine-1-carbonyl)-1H-indol-2-yl]-1H-quinolin-2-one
PubChem CID5329376
Molecular FormulaC23H22N4O2
Molecular Weight386.46 g/mol
Exact Mass386.17
IUPAC Name3-[5-(4-methylpiperazine-1-carbonyl)-1H-indol-2-yl]-1H-quinolin-2-one
SMILESCN1CCN(C(=O)c2ccc3[nH]c(-c4cc5ccccc5[nH]c4=O)cc3c2)CC1
InChIInChI=1S/C23H22N4O2/c1-26-8-10-27(11-9-26)23(29)16-6-7-20-17(12-16)14-21(24-20)18-13-15-4-2-3-5-19(15)25-22(18)28/h2-7,12-14,24H,8-11H2,1H3,(H,25,28)
InChIKeyFINHYBFECTZECE-UHFFFAOYSA-N
XLogP3.06
TPSA72.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.46
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(4-methylpiperazine-1-carbonyl)-1H-indol-2-yl]-1H-quinolin-2-one?
The IUPAC name of 3-[5-(4-methylpiperazine-1-carbonyl)-1H-indol-2-yl]-1H-quinolin-2-one (CID 5329376) is 3-[5-(4-methylpiperazine-1-carbonyl)-1H-indol-2-yl]-1H-quinolin-2-one.
What is the SMILES notation for 3-[5-(4-methylpiperazine-1-carbonyl)-1H-indol-2-yl]-1H-quinolin-2-one?
The canonical SMILES for 3-[5-(4-methylpiperazine-1-carbonyl)-1H-indol-2-yl]-1H-quinolin-2-one is CN1CCN(C(=O)c2ccc3[nH]c(-c4cc5ccccc5[nH]c4=O)cc3c2)CC1.
What is the InChIKey of 3-[5-(4-methylpiperazine-1-carbonyl)-1H-indol-2-yl]-1H-quinolin-2-one?
The InChIKey is FINHYBFECTZECE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O2/c1-26-8-10-27(11-9-26)23(29)16-6-7-20-17(12-16)14-21(24-20)18-13-15-4-2-3-5-19(15)25-22(18)28/h2-7,12-14,24H,8-11H2,1H3,(H,25,28).
What are the key properties of 3-[5-(4-methylpiperazine-1-carbonyl)-1H-indol-2-yl]-1H-quinolin-2-one?
3-[5-(4-methylpiperazine-1-carbonyl)-1H-indol-2-yl]-1H-quinolin-2-one has a molecular weight of 386.46 g/mol, XLogP of 3.06, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(4-methylpiperazine-1-carbonyl)-1H-indol-2-yl]-1H-quinolin-2-one is sourced from PubChem (CID 5329376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).