N-[(4-chlorophenyl)methyl]-1-ethyl-6-morpholin-4-ylsulfonyl-4-oxoquinoline-3-carboxamide

C23H24ClN3O5S — CID 5309052

IUPACN-[(4-chlorophenyl)methyl]-1-ethyl-6-morpholin-4-ylsulfonyl-4-oxoquinoline-3-carboxamide
SMILESCCn1cc(C(=O)NCc2ccc(Cl)cc2)c(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc21
InChIInChI=1S/C23H24ClN3O5S/c1-2-26-15-20(23(29)25-14-16-3-5-17(24)6-4-16)22(28)19-13-18(7-8-21(19)26)33(30,31)27-9-11-32-12-10-27/h3-8,13,15H,2,9-12,14H2,1H3,(H,25,29)
InChIKeyOIPJVKJRKFGIST-UHFFFAOYSA-N
MW489.98 g/mol
LogP2.63
Rot. Bonds6

About N-[(4-chlorophenyl)methyl]-1-ethyl-6-morpholin-4-ylsulfonyl-4-oxoquinoline-3-carboxamide

N-[(4-chlorophenyl)methyl]-1-ethyl-6-morpholin-4-ylsulfonyl-4-oxoquinoline-3-carboxamide (PubChem CID 5309052) has the molecular formula C23H24ClN3O5S and a molecular weight of 489.98 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-1-ethyl-6-morpholin-4-ylsulfonyl-4-oxoquinoline-3-carboxamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-1-ethyl-6-morpholin-4-ylsulfonyl-4-oxoquinoline-3-carboxamide
PubChem CID5309052
Molecular FormulaC23H24ClN3O5S
Molecular Weight489.98 g/mol
Exact Mass489.11
IUPAC NameN-[(4-chlorophenyl)methyl]-1-ethyl-6-morpholin-4-ylsulfonyl-4-oxoquinoline-3-carboxamide
SMILESCCn1cc(C(=O)NCc2ccc(Cl)cc2)c(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc21
InChIInChI=1S/C23H24ClN3O5S/c1-2-26-15-20(23(29)25-14-16-3-5-17(24)6-4-16)22(28)19-13-18(7-8-21(19)26)33(30,31)27-9-11-32-12-10-27/h3-8,13,15H,2,9-12,14H2,1H3,(H,25,29)
InChIKeyOIPJVKJRKFGIST-UHFFFAOYSA-N
XLogP2.63
TPSA97.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.98
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-1-ethyl-6-morpholin-4-ylsulfonyl-4-oxoquinoline-3-carboxamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-1-ethyl-6-morpholin-4-ylsulfonyl-4-oxoquinoline-3-carboxamide (CID 5309052) is N-[(4-chlorophenyl)methyl]-1-ethyl-6-morpholin-4-ylsulfonyl-4-oxoquinoline-3-carboxamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-1-ethyl-6-morpholin-4-ylsulfonyl-4-oxoquinoline-3-carboxamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-1-ethyl-6-morpholin-4-ylsulfonyl-4-oxoquinoline-3-carboxamide is CCn1cc(C(=O)NCc2ccc(Cl)cc2)c(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc21.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-1-ethyl-6-morpholin-4-ylsulfonyl-4-oxoquinoline-3-carboxamide?
The InChIKey is OIPJVKJRKFGIST-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClN3O5S/c1-2-26-15-20(23(29)25-14-16-3-5-17(24)6-4-16)22(28)19-13-18(7-8-21(19)26)33(30,31)27-9-11-32-12-10-27/h3-8,13,15H,2,9-12,14H2,1H3,(H,25,29).
What are the key properties of N-[(4-chlorophenyl)methyl]-1-ethyl-6-morpholin-4-ylsulfonyl-4-oxoquinoline-3-carboxamide?
N-[(4-chlorophenyl)methyl]-1-ethyl-6-morpholin-4-ylsulfonyl-4-oxoquinoline-3-carboxamide has a molecular weight of 489.98 g/mol, XLogP of 2.63, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-1-ethyl-6-morpholin-4-ylsulfonyl-4-oxoquinoline-3-carboxamide is sourced from PubChem (CID 5309052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).