2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]-2-phenyl-N-(pyridin-3-ylmethyl)acetamide

C23H22N4O4S — CID 5309789

IUPAC2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]-2-phenyl-N-(pyridin-3-ylmethyl)acetamide
SMILESO=C1CCc2cc(S(=O)(=O)NC(C(=O)NCc3cccnc3)c3ccccc3)ccc2N1
InChIInChI=1S/C23H22N4O4S/c28-21-11-8-18-13-19(9-10-20(18)26-21)32(30,31)27-22(17-6-2-1-3-7-17)23(29)25-15-16-5-4-12-24-14-16/h1-7,9-10,12-14,22,27H,8,11,15H2,(H,25,29)(H,26,28)
InChIKeySAAIEGRYDQMLQS-UHFFFAOYSA-N
MW450.52 g/mol
LogP2.30
Rot. Bonds7

About 2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]-2-phenyl-N-(pyridin-3-ylmethyl)acetamide

2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]-2-phenyl-N-(pyridin-3-ylmethyl)acetamide (PubChem CID 5309789) has the molecular formula C23H22N4O4S and a molecular weight of 450.52 g/mol. Its IUPAC name is 2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]-2-phenyl-N-(pyridin-3-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]-2-phenyl-N-(pyridin-3-ylmethyl)acetamide
PubChem CID5309789
Molecular FormulaC23H22N4O4S
Molecular Weight450.52 g/mol
Exact Mass450.14
IUPAC Name2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]-2-phenyl-N-(pyridin-3-ylmethyl)acetamide
SMILESO=C1CCc2cc(S(=O)(=O)NC(C(=O)NCc3cccnc3)c3ccccc3)ccc2N1
InChIInChI=1S/C23H22N4O4S/c28-21-11-8-18-13-19(9-10-20(18)26-21)32(30,31)27-22(17-6-2-1-3-7-17)23(29)25-15-16-5-4-12-24-14-16/h1-7,9-10,12-14,22,27H,8,11,15H2,(H,25,29)(H,26,28)
InChIKeySAAIEGRYDQMLQS-UHFFFAOYSA-N
XLogP2.30
TPSA117.26 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.52
LogP ≤ 52.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]-2-phenyl-N-(pyridin-3-ylmethyl)acetamide?
The IUPAC name of 2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]-2-phenyl-N-(pyridin-3-ylmethyl)acetamide (CID 5309789) is 2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]-2-phenyl-N-(pyridin-3-ylmethyl)acetamide.
What is the SMILES notation for 2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]-2-phenyl-N-(pyridin-3-ylmethyl)acetamide?
The canonical SMILES for 2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]-2-phenyl-N-(pyridin-3-ylmethyl)acetamide is O=C1CCc2cc(S(=O)(=O)NC(C(=O)NCc3cccnc3)c3ccccc3)ccc2N1.
What is the InChIKey of 2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]-2-phenyl-N-(pyridin-3-ylmethyl)acetamide?
The InChIKey is SAAIEGRYDQMLQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O4S/c28-21-11-8-18-13-19(9-10-20(18)26-21)32(30,31)27-22(17-6-2-1-3-7-17)23(29)25-15-16-5-4-12-24-14-16/h1-7,9-10,12-14,22,27H,8,11,15H2,(H,25,29)(H,26,28).
What are the key properties of 2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]-2-phenyl-N-(pyridin-3-ylmethyl)acetamide?
2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]-2-phenyl-N-(pyridin-3-ylmethyl)acetamide has a molecular weight of 450.52 g/mol, XLogP of 2.30, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]-2-phenyl-N-(pyridin-3-ylmethyl)acetamide is sourced from PubChem (CID 5309789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).