1-(5-chloro-2-methoxyphenyl)-3-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)urea

C18H20ClN3O4S — CID 30372695

IUPAC1-(5-chloro-2-methoxyphenyl)-3-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)urea
SMILESCOc1ccc(Cl)cc1NC(=O)Nc1ccc2c(c1)N(S(C)(=O)=O)CCC2
InChIInChI=1S/C18H20ClN3O4S/c1-26-17-8-6-13(19)10-15(17)21-18(23)20-14-7-5-12-4-3-9-22(16(12)11-14)27(2,24)25/h5-8,10-11H,3-4,9H2,1-2H3,(H2,20,21,23)
InChIKeyATBYUJYFQPCSDI-UHFFFAOYSA-N
MW409.90 g/mol
LogP3.70
Rot. Bonds4

About 1-(5-chloro-2-methoxyphenyl)-3-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)urea

1-(5-chloro-2-methoxyphenyl)-3-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)urea (PubChem CID 30372695) has the molecular formula C18H20ClN3O4S and a molecular weight of 409.90 g/mol. Its IUPAC name is 1-(5-chloro-2-methoxyphenyl)-3-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)urea.

Molecular Properties

Compound Name1-(5-chloro-2-methoxyphenyl)-3-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)urea
PubChem CID30372695
Molecular FormulaC18H20ClN3O4S
Molecular Weight409.90 g/mol
Exact Mass409.09
IUPAC Name1-(5-chloro-2-methoxyphenyl)-3-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)urea
SMILESCOc1ccc(Cl)cc1NC(=O)Nc1ccc2c(c1)N(S(C)(=O)=O)CCC2
InChIInChI=1S/C18H20ClN3O4S/c1-26-17-8-6-13(19)10-15(17)21-18(23)20-14-7-5-12-4-3-9-22(16(12)11-14)27(2,24)25/h5-8,10-11H,3-4,9H2,1-2H3,(H2,20,21,23)
InChIKeyATBYUJYFQPCSDI-UHFFFAOYSA-N
XLogP3.70
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.90
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-chloro-2-fluorophenyl)-3-(1-methylsulfonyl-2,3-dihydroindol-6-yl)urea
CID 46386232
5-chloro-N-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]-2-methoxybenzamide
CID 27443748
5-chloro-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)-2-nitrobenzamide
CID 7517828
1-[1-(benzenesulfonyl)-3,4-dihydro-2H-quinolin-7-yl]-3-(4-chlorophenyl)urea
CID 30372801
(3R)-1-(4-chlorophenyl)-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)-5-oxopyrrolidine-3-carboxamide
CID 51896458
2-cyclopropyl-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)propanamide
CID 110622787
1-(5-chloro-2-methoxyphenyl)-3-(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)urea
CID 56765018
1-(2-methylphenyl)-3-(1-methylsulfonyl-2,3-dihydroindol-6-yl)urea
CID 46386198
2-(2,4-dichlorophenoxy)-N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)acetamide
CID 16835478
2,6-dimethoxy-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)benzamide
CID 7657892
N-(3,4-dimethoxyphenyl)-1-methylsulfonyl-2,3-dihydroindole-6-carboxamide
CID 53160386
1-(1-benzoyl-3,4-dihydro-2H-quinolin-7-yl)-3-(2-methoxyphenyl)urea
CID 30372555

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methoxyphenyl)-3-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)urea?
The IUPAC name of 1-(5-chloro-2-methoxyphenyl)-3-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)urea (CID 30372695) is 1-(5-chloro-2-methoxyphenyl)-3-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)urea.
What is the SMILES notation for 1-(5-chloro-2-methoxyphenyl)-3-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)urea?
The canonical SMILES for 1-(5-chloro-2-methoxyphenyl)-3-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)urea is COc1ccc(Cl)cc1NC(=O)Nc1ccc2c(c1)N(S(C)(=O)=O)CCC2.
What is the InChIKey of 1-(5-chloro-2-methoxyphenyl)-3-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)urea?
The InChIKey is ATBYUJYFQPCSDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O4S/c1-26-17-8-6-13(19)10-15(17)21-18(23)20-14-7-5-12-4-3-9-22(16(12)11-14)27(2,24)25/h5-8,10-11H,3-4,9H2,1-2H3,(H2,20,21,23).
What are the key properties of 1-(5-chloro-2-methoxyphenyl)-3-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)urea?
1-(5-chloro-2-methoxyphenyl)-3-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)urea has a molecular weight of 409.90 g/mol, XLogP of 3.70, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methoxyphenyl)-3-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)urea is sourced from PubChem (CID 30372695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).