1-methyl-6-morpholin-4-ylsulfonyl-3-(4-pyridin-2-ylpiperazine-1-carbonyl)quinolin-4-one

C24H27N5O5S — CID 3236304

IUPAC1-methyl-6-morpholin-4-ylsulfonyl-3-(4-pyridin-2-ylpiperazine-1-carbonyl)quinolin-4-one
SMILESCn1cc(C(=O)N2CCN(c3ccccn3)CC2)c(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc21
InChIInChI=1S/C24H27N5O5S/c1-26-17-20(24(31)28-10-8-27(9-11-28)22-4-2-3-7-25-22)23(30)19-16-18(5-6-21(19)26)35(32,33)29-12-14-34-15-13-29/h2-7,16-17H,8-15H2,1H3
InChIKeyWGVHNYXFNWOAQI-UHFFFAOYSA-N
MW497.58 g/mol
LogP0.92
Rot. Bonds4

About 1-methyl-6-morpholin-4-ylsulfonyl-3-(4-pyridin-2-ylpiperazine-1-carbonyl)quinolin-4-one

1-methyl-6-morpholin-4-ylsulfonyl-3-(4-pyridin-2-ylpiperazine-1-carbonyl)quinolin-4-one (PubChem CID 3236304) has the molecular formula C24H27N5O5S and a molecular weight of 497.58 g/mol. Its IUPAC name is 1-methyl-6-morpholin-4-ylsulfonyl-3-(4-pyridin-2-ylpiperazine-1-carbonyl)quinolin-4-one.

Molecular Properties

Compound Name1-methyl-6-morpholin-4-ylsulfonyl-3-(4-pyridin-2-ylpiperazine-1-carbonyl)quinolin-4-one
PubChem CID3236304
Molecular FormulaC24H27N5O5S
Molecular Weight497.58 g/mol
Exact Mass497.17
IUPAC Name1-methyl-6-morpholin-4-ylsulfonyl-3-(4-pyridin-2-ylpiperazine-1-carbonyl)quinolin-4-one
SMILESCn1cc(C(=O)N2CCN(c3ccccn3)CC2)c(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc21
InChIInChI=1S/C24H27N5O5S/c1-26-17-20(24(31)28-10-8-27(9-11-28)22-4-2-3-7-25-22)23(30)19-16-18(5-6-21(19)26)35(32,33)29-12-14-34-15-13-29/h2-7,16-17H,8-15H2,1H3
InChIKeyWGVHNYXFNWOAQI-UHFFFAOYSA-N
XLogP0.92
TPSA105.05 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.58
LogP ≤ 50.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-morpholin-4-ylsulfonyl-3-(4-pyridin-2-ylpiperazine-1-carbonyl)quinolin-4-one?
The IUPAC name of 1-methyl-6-morpholin-4-ylsulfonyl-3-(4-pyridin-2-ylpiperazine-1-carbonyl)quinolin-4-one (CID 3236304) is 1-methyl-6-morpholin-4-ylsulfonyl-3-(4-pyridin-2-ylpiperazine-1-carbonyl)quinolin-4-one.
What is the SMILES notation for 1-methyl-6-morpholin-4-ylsulfonyl-3-(4-pyridin-2-ylpiperazine-1-carbonyl)quinolin-4-one?
The canonical SMILES for 1-methyl-6-morpholin-4-ylsulfonyl-3-(4-pyridin-2-ylpiperazine-1-carbonyl)quinolin-4-one is Cn1cc(C(=O)N2CCN(c3ccccn3)CC2)c(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc21.
What is the InChIKey of 1-methyl-6-morpholin-4-ylsulfonyl-3-(4-pyridin-2-ylpiperazine-1-carbonyl)quinolin-4-one?
The InChIKey is WGVHNYXFNWOAQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O5S/c1-26-17-20(24(31)28-10-8-27(9-11-28)22-4-2-3-7-25-22)23(30)19-16-18(5-6-21(19)26)35(32,33)29-12-14-34-15-13-29/h2-7,16-17H,8-15H2,1H3.
What are the key properties of 1-methyl-6-morpholin-4-ylsulfonyl-3-(4-pyridin-2-ylpiperazine-1-carbonyl)quinolin-4-one?
1-methyl-6-morpholin-4-ylsulfonyl-3-(4-pyridin-2-ylpiperazine-1-carbonyl)quinolin-4-one has a molecular weight of 497.58 g/mol, XLogP of 0.92, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-morpholin-4-ylsulfonyl-3-(4-pyridin-2-ylpiperazine-1-carbonyl)quinolin-4-one is sourced from PubChem (CID 3236304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).