N-[2-(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-4-morpholin-4-ylsulfonylbenzamide

C24H27N3O5S — CID 4660250

IUPACN-[2-(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-4-morpholin-4-ylsulfonylbenzamide
SMILESCc1ccc(C)c2[nH]c(=O)c(CCNC(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)cc12
InChIInChI=1S/C24H27N3O5S/c1-16-3-4-17(2)22-21(16)15-19(24(29)26-22)9-10-25-23(28)18-5-7-20(8-6-18)33(30,31)27-11-13-32-14-12-27/h3-8,15H,9-14H2,1-2H3,(H,25,28)(H,26,29)
InChIKeyPCUKSORHVCQTCV-UHFFFAOYSA-N
MW469.56 g/mol
LogP2.14
Rot. Bonds6

About N-[2-(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-4-morpholin-4-ylsulfonylbenzamide

N-[2-(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-4-morpholin-4-ylsulfonylbenzamide (PubChem CID 4660250) has the molecular formula C24H27N3O5S and a molecular weight of 469.56 g/mol. Its IUPAC name is N-[2-(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-4-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-[2-(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-4-morpholin-4-ylsulfonylbenzamide
PubChem CID4660250
Molecular FormulaC24H27N3O5S
Molecular Weight469.56 g/mol
Exact Mass469.17
IUPAC NameN-[2-(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-4-morpholin-4-ylsulfonylbenzamide
SMILESCc1ccc(C)c2[nH]c(=O)c(CCNC(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)cc12
InChIInChI=1S/C24H27N3O5S/c1-16-3-4-17(2)22-21(16)15-19(24(29)26-22)9-10-25-23(28)18-5-7-20(8-6-18)33(30,31)27-11-13-32-14-12-27/h3-8,15H,9-14H2,1-2H3,(H,25,28)(H,26,29)
InChIKeyPCUKSORHVCQTCV-UHFFFAOYSA-N
XLogP2.14
TPSA108.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.56
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazine-1-carbonyl]-1H-quinolin-2-one
CID 2417657
2-(2-methoxyethyl)-N-[4-(morpholin-4-ylsulfonyl)phenyl]-3-oxoisoindoline-4-carboxamide
CID 6619553
2-methyl-N-[4-(4-morpholinylsulfonyl)phenyl]benzamide
CID 1010558
2-(2-methoxyethyl)-3-oxo-N-[4-(piperidin-1-ylsulfonyl)phenyl]isoindoline-4-carboxamide
CID 3245754
1-ethyl-N-(2-morpholin-4-ylethyl)-2-oxobenzo[cd]indole-6-sulfonamide
CID 90654869
N-(7,8-Dimethyl-2-oxo-1,2-dihydro-quinolin-3-ylmethyl)-N-(2-hydroxy-ethyl)-4-methyl-benzenesulfonamide
CID 654828
4-(Morpholine-4-sulfonyl)-N-phenyl-benzamide
CID 777437
3-methyl-N-(2-methyl-4-morpholin-4-ylsulfonylphenyl)benzamide
CID 1051609
4-methyl-N-(3-(morpholine-4-carbonyl)phenyl)benzenesulfonamide
CID 1097769
3,4-Dimethyl-N-[4-(morpholine-4-sulfonyl)-phenyl]-benzamide
CID 1164273
N-(2,3-dimethylphenyl)-2-methyl-5-(4-morpholinylcarbonyl)benzenesulfonamide
CID 1260713
3-(2-methylpropanoylamino)-N-(4-morpholin-4-ylsulfonylphenyl)benzamide
CID 1303186

Frequently Asked Questions

What is the IUPAC name of N-[2-(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-4-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of N-[2-(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-4-morpholin-4-ylsulfonylbenzamide (CID 4660250) is N-[2-(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-4-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for N-[2-(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-4-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for N-[2-(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-4-morpholin-4-ylsulfonylbenzamide is Cc1ccc(C)c2[nH]c(=O)c(CCNC(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)cc12.
What is the InChIKey of N-[2-(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-4-morpholin-4-ylsulfonylbenzamide?
The InChIKey is PCUKSORHVCQTCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O5S/c1-16-3-4-17(2)22-21(16)15-19(24(29)26-22)9-10-25-23(28)18-5-7-20(8-6-18)33(30,31)27-11-13-32-14-12-27/h3-8,15H,9-14H2,1-2H3,(H,25,28)(H,26,29).
What are the key properties of N-[2-(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-4-morpholin-4-ylsulfonylbenzamide?
N-[2-(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-4-morpholin-4-ylsulfonylbenzamide has a molecular weight of 469.56 g/mol, XLogP of 2.14, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-4-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 4660250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).