1-[[(8-methoxyquinolin-2-yl)amino]methyl]cyclobutane-1-sulfonamide

C15H19N3O3S — CID 167984309

IUPAC1-[[(8-methoxyquinolin-2-yl)amino]methyl]cyclobutane-1-sulfonamide
SMILESCOc1cccc2ccc(NCC3(S(N)(=O)=O)CCC3)nc12
InChIInChI=1S/C15H19N3O3S/c1-21-12-5-2-4-11-6-7-13(18-14(11)12)17-10-15(8-3-9-15)22(16,19)20/h2,4-7H,3,8-10H2,1H3,(H,17,18)(H2,16,19,20)
InChIKeyZUFJMAATHVOIHH-UHFFFAOYSA-N
MW321.40 g/mol
LogP1.87
Rot. Bonds5

About 1-[[(8-methoxyquinolin-2-yl)amino]methyl]cyclobutane-1-sulfonamide

1-[[(8-methoxyquinolin-2-yl)amino]methyl]cyclobutane-1-sulfonamide (PubChem CID 167984309) has the molecular formula C15H19N3O3S and a molecular weight of 321.40 g/mol. Its IUPAC name is 1-[[(8-methoxyquinolin-2-yl)amino]methyl]cyclobutane-1-sulfonamide.

Molecular Properties

Compound Name1-[[(8-methoxyquinolin-2-yl)amino]methyl]cyclobutane-1-sulfonamide
PubChem CID167984309
Molecular FormulaC15H19N3O3S
Molecular Weight321.40 g/mol
Exact Mass321.11
IUPAC Name1-[[(8-methoxyquinolin-2-yl)amino]methyl]cyclobutane-1-sulfonamide
SMILESCOc1cccc2ccc(NCC3(S(N)(=O)=O)CCC3)nc12
InChIInChI=1S/C15H19N3O3S/c1-21-12-5-2-4-11-6-7-13(18-14(11)12)17-10-15(8-3-9-15)22(16,19)20/h2,4-7H,3,8-10H2,1H3,(H,17,18)(H2,16,19,20)
InChIKeyZUFJMAATHVOIHH-UHFFFAOYSA-N
XLogP1.87
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

8-methoxy-N-methylquinolin-2-amine
CID 57292538
2-[(8-methoxyquinolin-2-yl)methylamino]ethanesulfonamide
CID 80702043
N-cyclopropyl-8-methoxyquinolin-2-amine
CID 84621892
[1-(8-methoxyquinolin-2-yl)cyclopropyl]urea
CID 142493809
1-(8-methoxyquinolin-2-yl)-1-methylhydrazine
CID 53403066
N-(8-hydroxyquinolin-2-yl)-3,4-dimethoxybenzenesulfonamide
CID 59191064
3-[(8-methoxyquinolin-2-yl)amino]-1-methylpyrrolidin-2-one
CID 45229761
3-[(8-methoxyquinolin-2-yl)methylamino]phenol
CID 80702906
2-fluoro-8-methoxyquinoline
CID 54155138
2-methoxy-N-[(8-methoxyquinolin-2-yl)methyl]-2-methylpropan-1-amine
CID 104759612
[1-(2-methoxy-6-methylsulfonylphenyl)cyclobutyl]methanamine
CID 117426781
(2,6-dimethoxyphenyl) sulfamate
CID 86254316

Frequently Asked Questions

What is the IUPAC name of 1-[[(8-methoxyquinolin-2-yl)amino]methyl]cyclobutane-1-sulfonamide?
The IUPAC name of 1-[[(8-methoxyquinolin-2-yl)amino]methyl]cyclobutane-1-sulfonamide (CID 167984309) is 1-[[(8-methoxyquinolin-2-yl)amino]methyl]cyclobutane-1-sulfonamide.
What is the SMILES notation for 1-[[(8-methoxyquinolin-2-yl)amino]methyl]cyclobutane-1-sulfonamide?
The canonical SMILES for 1-[[(8-methoxyquinolin-2-yl)amino]methyl]cyclobutane-1-sulfonamide is COc1cccc2ccc(NCC3(S(N)(=O)=O)CCC3)nc12.
What is the InChIKey of 1-[[(8-methoxyquinolin-2-yl)amino]methyl]cyclobutane-1-sulfonamide?
The InChIKey is ZUFJMAATHVOIHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3S/c1-21-12-5-2-4-11-6-7-13(18-14(11)12)17-10-15(8-3-9-15)22(16,19)20/h2,4-7H,3,8-10H2,1H3,(H,17,18)(H2,16,19,20).
What are the key properties of 1-[[(8-methoxyquinolin-2-yl)amino]methyl]cyclobutane-1-sulfonamide?
1-[[(8-methoxyquinolin-2-yl)amino]methyl]cyclobutane-1-sulfonamide has a molecular weight of 321.40 g/mol, XLogP of 1.87, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(8-methoxyquinolin-2-yl)amino]methyl]cyclobutane-1-sulfonamide is sourced from PubChem (CID 167984309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).