N-(5-chloro-2-pyridinyl)-6-morpholin-4-ylsulfonyl-2-oxo-1H-quinoline-4-carboxamide

C19H17ClN4O5S — CID 55363513

IUPACN-(5-chloro-2-pyridinyl)-6-morpholin-4-ylsulfonyl-2-oxo-1H-quinoline-4-carboxamide
SMILESO=C(Nc1ccc(Cl)cn1)c1cc(=O)[nH]c2ccc(S(=O)(=O)N3CCOCC3)cc12
InChIInChI=1S/C19H17ClN4O5S/c20-12-1-4-17(21-11-12)23-19(26)15-10-18(25)22-16-3-2-13(9-14(15)16)30(27,28)24-5-7-29-8-6-24/h1-4,9-11H,5-8H2,(H,22,25)(H,21,23,26)
InChIKeyGGKWKYINDAAOBM-UHFFFAOYSA-N
MW448.89 g/mol
LogP1.85
Rot. Bonds4

About N-(5-chloro-2-pyridinyl)-6-morpholin-4-ylsulfonyl-2-oxo-1H-quinoline-4-carboxamide

N-(5-chloro-2-pyridinyl)-6-morpholin-4-ylsulfonyl-2-oxo-1H-quinoline-4-carboxamide (PubChem CID 55363513) has the molecular formula C19H17ClN4O5S and a molecular weight of 448.89 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-6-morpholin-4-ylsulfonyl-2-oxo-1H-quinoline-4-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-pyridinyl)-6-morpholin-4-ylsulfonyl-2-oxo-1H-quinoline-4-carboxamide
PubChem CID55363513
Molecular FormulaC19H17ClN4O5S
Molecular Weight448.89 g/mol
Exact Mass448.06
IUPAC NameN-(5-chloro-2-pyridinyl)-6-morpholin-4-ylsulfonyl-2-oxo-1H-quinoline-4-carboxamide
SMILESO=C(Nc1ccc(Cl)cn1)c1cc(=O)[nH]c2ccc(S(=O)(=O)N3CCOCC3)cc12
InChIInChI=1S/C19H17ClN4O5S/c20-12-1-4-17(21-11-12)23-19(26)15-10-18(25)22-16-3-2-13(9-14(15)16)30(27,28)24-5-7-29-8-6-24/h1-4,9-11H,5-8H2,(H,22,25)(H,21,23,26)
InChIKeyGGKWKYINDAAOBM-UHFFFAOYSA-N
XLogP1.85
TPSA121.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.89
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-(5-chloro-2-pyridinyl)-6-morpholin-4-ylsulfonyl-2-oxo-1H-quinoline-4-carboxamide with MolForge

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Related Compounds

6-morpholin-4-ylsulfonyl-2-oxo-1H-quinoline-4-carboxylic acid
CID 2338315
6-morpholin-4-ylsulfonyl-2-oxo-N-[1-(4-propan-2-ylphenyl)ethyl]-1H-quinoline-4-carboxamide
CID 55335721
N-(2-methylsulfanylphenyl)-6-morpholin-4-ylsulfonyl-2-oxo-1H-quinoline-4-carboxamide
CID 55329602
N-[4-(dimethylamino)-3-methylphenyl]-6-morpholin-4-ylsulfonyl-2-oxo-1H-quinoline-4-carboxamide
CID 55672285
6-morpholin-4-ylsulfonyl-2-oxo-N-(2-piperidin-1-ylphenyl)-1H-quinoline-4-carboxamide
CID 55329648
6-morpholin-4-ylsulfonyl-2-oxo-N-(3-pyrrolidin-1-ylphenyl)-1H-quinoline-4-carboxamide
CID 55877985
6-morpholin-4-ylsulfonyl-2-oxo-N-[4-(2-oxoimidazolidin-1-yl)phenyl]-1H-quinoline-4-carboxamide
CID 55484934
N-(6-acetyl-1,3-benzodioxol-5-yl)-6-morpholin-4-ylsulfonyl-2-oxo-1H-quinoline-4-carboxamide
CID 55340988
6-morpholin-4-ylsulfonyl-2-oxo-N-(2-oxochromen-6-yl)-1H-quinoline-4-carboxamide
CID 55978558
N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)-2-oxo-1H-quinoline-4-carboxamide
CID 55329582
6-morpholin-4-ylsulfonyl-2-oxo-N-(oxolan-2-ylmethyl)-1H-quinoline-4-carboxamide
CID 4651455
6-morpholin-4-ylsulfonyl-2-oxo-N-(1-pyrimidin-2-ylpiperidin-3-yl)-1H-quinoline-4-carboxamide
CID 55803029

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-pyridinyl)-6-morpholin-4-ylsulfonyl-2-oxo-1H-quinoline-4-carboxamide?
The IUPAC name of N-(5-chloro-2-pyridinyl)-6-morpholin-4-ylsulfonyl-2-oxo-1H-quinoline-4-carboxamide (CID 55363513) is N-(5-chloro-2-pyridinyl)-6-morpholin-4-ylsulfonyl-2-oxo-1H-quinoline-4-carboxamide.
What is the SMILES notation for N-(5-chloro-2-pyridinyl)-6-morpholin-4-ylsulfonyl-2-oxo-1H-quinoline-4-carboxamide?
The canonical SMILES for N-(5-chloro-2-pyridinyl)-6-morpholin-4-ylsulfonyl-2-oxo-1H-quinoline-4-carboxamide is O=C(Nc1ccc(Cl)cn1)c1cc(=O)[nH]c2ccc(S(=O)(=O)N3CCOCC3)cc12.
What is the InChIKey of N-(5-chloro-2-pyridinyl)-6-morpholin-4-ylsulfonyl-2-oxo-1H-quinoline-4-carboxamide?
The InChIKey is GGKWKYINDAAOBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN4O5S/c20-12-1-4-17(21-11-12)23-19(26)15-10-18(25)22-16-3-2-13(9-14(15)16)30(27,28)24-5-7-29-8-6-24/h1-4,9-11H,5-8H2,(H,22,25)(H,21,23,26).
What are the key properties of N-(5-chloro-2-pyridinyl)-6-morpholin-4-ylsulfonyl-2-oxo-1H-quinoline-4-carboxamide?
N-(5-chloro-2-pyridinyl)-6-morpholin-4-ylsulfonyl-2-oxo-1H-quinoline-4-carboxamide has a molecular weight of 448.89 g/mol, XLogP of 1.85, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-pyridinyl)-6-morpholin-4-ylsulfonyl-2-oxo-1H-quinoline-4-carboxamide is sourced from PubChem (CID 55363513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).