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

C23H25N5O5S — CID 3237301

IUPAC6-morpholin-4-ylsulfonyl-3-(4-pyridin-2-ylpiperazine-1-carbonyl)-1H-quinolin-4-one
SMILESO=C(c1c[nH]c2ccc(S(=O)(=O)N3CCOCC3)cc2c1=O)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C23H25N5O5S/c29-22-18-15-17(34(31,32)28-11-13-33-14-12-28)4-5-20(18)25-16-19(22)23(30)27-9-7-26(8-10-27)21-3-1-2-6-24-21/h1-6,15-16H,7-14H2,(H,25,29)
InChIKeyUFPSCPPSMMIRQP-UHFFFAOYSA-N
MW483.55 g/mol
LogP0.91
Rot. Bonds4

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

6-morpholin-4-ylsulfonyl-3-(4-pyridin-2-ylpiperazine-1-carbonyl)-1H-quinolin-4-one (PubChem CID 3237301) has the molecular formula C23H25N5O5S and a molecular weight of 483.55 g/mol. Its IUPAC name is 6-morpholin-4-ylsulfonyl-3-(4-pyridin-2-ylpiperazine-1-carbonyl)-1H-quinolin-4-one.

Molecular Properties

Compound Name6-morpholin-4-ylsulfonyl-3-(4-pyridin-2-ylpiperazine-1-carbonyl)-1H-quinolin-4-one
PubChem CID3237301
Molecular FormulaC23H25N5O5S
Molecular Weight483.55 g/mol
Exact Mass483.16
IUPAC Name6-morpholin-4-ylsulfonyl-3-(4-pyridin-2-ylpiperazine-1-carbonyl)-1H-quinolin-4-one
SMILESO=C(c1c[nH]c2ccc(S(=O)(=O)N3CCOCC3)cc2c1=O)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C23H25N5O5S/c29-22-18-15-17(34(31,32)28-11-13-33-14-12-28)4-5-20(18)25-16-19(22)23(30)27-9-7-26(8-10-27)21-3-1-2-6-24-21/h1-6,15-16H,7-14H2,(H,25,29)
InChIKeyUFPSCPPSMMIRQP-UHFFFAOYSA-N
XLogP0.91
TPSA115.91 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.55
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-morpholin-4-ylsulfonyl-3-(4-pyridin-2-ylpiperazine-1-carbonyl)-1H-quinolin-4-one?
The IUPAC name of 6-morpholin-4-ylsulfonyl-3-(4-pyridin-2-ylpiperazine-1-carbonyl)-1H-quinolin-4-one (CID 3237301) is 6-morpholin-4-ylsulfonyl-3-(4-pyridin-2-ylpiperazine-1-carbonyl)-1H-quinolin-4-one.
What is the SMILES notation for 6-morpholin-4-ylsulfonyl-3-(4-pyridin-2-ylpiperazine-1-carbonyl)-1H-quinolin-4-one?
The canonical SMILES for 6-morpholin-4-ylsulfonyl-3-(4-pyridin-2-ylpiperazine-1-carbonyl)-1H-quinolin-4-one is O=C(c1c[nH]c2ccc(S(=O)(=O)N3CCOCC3)cc2c1=O)N1CCN(c2ccccn2)CC1.
What is the InChIKey of 6-morpholin-4-ylsulfonyl-3-(4-pyridin-2-ylpiperazine-1-carbonyl)-1H-quinolin-4-one?
The InChIKey is UFPSCPPSMMIRQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O5S/c29-22-18-15-17(34(31,32)28-11-13-33-14-12-28)4-5-20(18)25-16-19(22)23(30)27-9-7-26(8-10-27)21-3-1-2-6-24-21/h1-6,15-16H,7-14H2,(H,25,29).
What are the key properties of 6-morpholin-4-ylsulfonyl-3-(4-pyridin-2-ylpiperazine-1-carbonyl)-1H-quinolin-4-one?
6-morpholin-4-ylsulfonyl-3-(4-pyridin-2-ylpiperazine-1-carbonyl)-1H-quinolin-4-one has a molecular weight of 483.55 g/mol, XLogP of 0.91, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-morpholin-4-ylsulfonyl-3-(4-pyridin-2-ylpiperazine-1-carbonyl)-1H-quinolin-4-one is sourced from PubChem (CID 3237301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).