1-[2-(6-methyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-(4-methylphenyl)sulfonylurea

C20H21N3O4S — CID 110325909

IUPAC1-[2-(6-methyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-(4-methylphenyl)sulfonylurea
SMILESCc1ccc(S(=O)(=O)NC(=O)NCCc2cc3cc(C)ccc3[nH]c2=O)cc1
InChIInChI=1S/C20H21N3O4S/c1-13-3-6-17(7-4-13)28(26,27)23-20(25)21-10-9-15-12-16-11-14(2)5-8-18(16)22-19(15)24/h3-8,11-12H,9-10H2,1-2H3,(H,22,24)(H2,21,23,25)
InChIKeyYHXVCLJQCPHPMZ-UHFFFAOYSA-N
MW399.47 g/mol
LogP2.38
Rot. Bonds5

About 1-[2-(6-methyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-(4-methylphenyl)sulfonylurea

1-[2-(6-methyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-(4-methylphenyl)sulfonylurea (PubChem CID 110325909) has the molecular formula C20H21N3O4S and a molecular weight of 399.47 g/mol. Its IUPAC name is 1-[2-(6-methyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-(4-methylphenyl)sulfonylurea.

Molecular Properties

Compound Name1-[2-(6-methyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-(4-methylphenyl)sulfonylurea
PubChem CID110325909
Molecular FormulaC20H21N3O4S
Molecular Weight399.47 g/mol
Exact Mass399.13
IUPAC Name1-[2-(6-methyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-(4-methylphenyl)sulfonylurea
SMILESCc1ccc(S(=O)(=O)NC(=O)NCCc2cc3cc(C)ccc3[nH]c2=O)cc1
InChIInChI=1S/C20H21N3O4S/c1-13-3-6-17(7-4-13)28(26,27)23-20(25)21-10-9-15-12-16-11-14(2)5-8-18(16)22-19(15)24/h3-8,11-12H,9-10H2,1-2H3,(H,22,24)(H2,21,23,25)
InChIKeyYHXVCLJQCPHPMZ-UHFFFAOYSA-N
XLogP2.38
TPSA108.13 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.47
LogP ≤ 52.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(6-methyl-2-oxo-1H-quinolin-3-yl)ethyl]propanamide
CID 71684039
N-[2-(6-methyl-2-oxo-1H-quinolin-3-yl)ethyl]-2-(4-methylphenoxy)acetamide
CID 110325904
N-[2-(6-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]-4-methylbenzenesulfonamide
CID 110326072
2,5-dimethyl-N-[2-(6-methyl-2-oxo-1H-quinolin-3-yl)ethyl]benzenesulfonamide
CID 110325922
1-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-3-propylurea
CID 110414626
4-acetamido-N-[2-(6-methyl-2-oxo-1H-quinolin-3-yl)ethyl]benzamide
CID 110662798
N-[2-(6-methyl-2-oxo-1H-quinolin-3-yl)ethyl]-1-phenylmethanesulfonamide
CID 110325936
3-(6-methyl-2-oxo-1H-quinolin-3-yl)-N-(4-methylphenyl)propanamide
CID 110331250
4-methoxy-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide
CID 110324686
1-[4-(aminomethyl)phenyl]sulfonyl-3-[2-(2-ethyl-5-methylphenyl)ethyl]urea
CID 174454589
N-[2-(6-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]-4-methylbenzamide
CID 110326012
3-(furan-2-yl)-N-[2-(6-methyl-2-oxo-1H-quinolin-3-yl)ethyl]propanamide
CID 110413804

Frequently Asked Questions

What is the IUPAC name of 1-[2-(6-methyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-(4-methylphenyl)sulfonylurea?
The IUPAC name of 1-[2-(6-methyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-(4-methylphenyl)sulfonylurea (CID 110325909) is 1-[2-(6-methyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-(4-methylphenyl)sulfonylurea.
What is the SMILES notation for 1-[2-(6-methyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-(4-methylphenyl)sulfonylurea?
The canonical SMILES for 1-[2-(6-methyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-(4-methylphenyl)sulfonylurea is Cc1ccc(S(=O)(=O)NC(=O)NCCc2cc3cc(C)ccc3[nH]c2=O)cc1.
What is the InChIKey of 1-[2-(6-methyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-(4-methylphenyl)sulfonylurea?
The InChIKey is YHXVCLJQCPHPMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O4S/c1-13-3-6-17(7-4-13)28(26,27)23-20(25)21-10-9-15-12-16-11-14(2)5-8-18(16)22-19(15)24/h3-8,11-12H,9-10H2,1-2H3,(H,22,24)(H2,21,23,25).
What are the key properties of 1-[2-(6-methyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-(4-methylphenyl)sulfonylurea?
1-[2-(6-methyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-(4-methylphenyl)sulfonylurea has a molecular weight of 399.47 g/mol, XLogP of 2.38, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(6-methyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-(4-methylphenyl)sulfonylurea is sourced from PubChem (CID 110325909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).