N-(2,5-diethoxyphenyl)-6-morpholin-4-ylsulfonylquinolin-2-amine

C23H27N3O5S — CID 53038205

IUPACN-(2,5-diethoxyphenyl)-6-morpholin-4-ylsulfonylquinolin-2-amine
SMILESCCOc1ccc(OCC)c(Nc2ccc3cc(S(=O)(=O)N4CCOCC4)ccc3n2)c1
InChIInChI=1S/C23H27N3O5S/c1-3-30-18-6-9-22(31-4-2)21(16-18)25-23-10-5-17-15-19(7-8-20(17)24-23)32(27,28)26-11-13-29-14-12-26/h5-10,15-16H,3-4,11-14H2,1-2H3,(H,24,25)
InChIKeyBAQTVOHUVFXNGV-UHFFFAOYSA-N
MW457.55 g/mol
LogP3.80
Rot. Bonds8

About N-(2,5-diethoxyphenyl)-6-morpholin-4-ylsulfonylquinolin-2-amine

N-(2,5-diethoxyphenyl)-6-morpholin-4-ylsulfonylquinolin-2-amine (PubChem CID 53038205) has the molecular formula C23H27N3O5S and a molecular weight of 457.55 g/mol. Its IUPAC name is N-(2,5-diethoxyphenyl)-6-morpholin-4-ylsulfonylquinolin-2-amine.

Molecular Properties

Compound NameN-(2,5-diethoxyphenyl)-6-morpholin-4-ylsulfonylquinolin-2-amine
PubChem CID53038205
Molecular FormulaC23H27N3O5S
Molecular Weight457.55 g/mol
Exact Mass457.17
IUPAC NameN-(2,5-diethoxyphenyl)-6-morpholin-4-ylsulfonylquinolin-2-amine
SMILESCCOc1ccc(OCC)c(Nc2ccc3cc(S(=O)(=O)N4CCOCC4)ccc3n2)c1
InChIInChI=1S/C23H27N3O5S/c1-3-30-18-6-9-22(31-4-2)21(16-18)25-23-10-5-17-15-19(7-8-20(17)24-23)32(27,28)26-11-13-29-14-12-26/h5-10,15-16H,3-4,11-14H2,1-2H3,(H,24,25)
InChIKeyBAQTVOHUVFXNGV-UHFFFAOYSA-N
XLogP3.80
TPSA89.99 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.55
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-ethoxy-5-morpholin-4-ylsulfonyl-N-(naphthalen-2-ylmethyl)aniline
CID 112811153
methyl 2-ethoxy-4-morpholin-4-ylsulfonylbenzoate
CID 68873927
2-(2,5-diethoxyanilino)-N-(3-morpholin-4-ylsulfonylphenyl)propanamide
CID 43055778
N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)-2-methylbutanamide
CID 46511351
4-tert-butyl-N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)benzenesulfonamide
CID 26952024
(2S)-N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)-2-(6-methoxynaphthalen-2-yl)propanamide
CID 55937759
(2S)-2-amino-N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)propanamide;hydrochloride
CID 119268074
N-(3,4-dimethoxyphenyl)-6-piperidin-1-ylsulfonylquinolin-2-amine
CID 50759679
N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)-1-benzothiophene-2-carboxamide
CID 27989966
N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)piperidine-3-carboxamide
CID 119268085
N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)-3-fluorobenzamide
CID 7719519
N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)-2-(4-fluorophenyl)acetamide
CID 8502005

Frequently Asked Questions

What is the IUPAC name of N-(2,5-diethoxyphenyl)-6-morpholin-4-ylsulfonylquinolin-2-amine?
The IUPAC name of N-(2,5-diethoxyphenyl)-6-morpholin-4-ylsulfonylquinolin-2-amine (CID 53038205) is N-(2,5-diethoxyphenyl)-6-morpholin-4-ylsulfonylquinolin-2-amine.
What is the SMILES notation for N-(2,5-diethoxyphenyl)-6-morpholin-4-ylsulfonylquinolin-2-amine?
The canonical SMILES for N-(2,5-diethoxyphenyl)-6-morpholin-4-ylsulfonylquinolin-2-amine is CCOc1ccc(OCC)c(Nc2ccc3cc(S(=O)(=O)N4CCOCC4)ccc3n2)c1.
What is the InChIKey of N-(2,5-diethoxyphenyl)-6-morpholin-4-ylsulfonylquinolin-2-amine?
The InChIKey is BAQTVOHUVFXNGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O5S/c1-3-30-18-6-9-22(31-4-2)21(16-18)25-23-10-5-17-15-19(7-8-20(17)24-23)32(27,28)26-11-13-29-14-12-26/h5-10,15-16H,3-4,11-14H2,1-2H3,(H,24,25).
What are the key properties of N-(2,5-diethoxyphenyl)-6-morpholin-4-ylsulfonylquinolin-2-amine?
N-(2,5-diethoxyphenyl)-6-morpholin-4-ylsulfonylquinolin-2-amine has a molecular weight of 457.55 g/mol, XLogP of 3.80, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-diethoxyphenyl)-6-morpholin-4-ylsulfonylquinolin-2-amine is sourced from PubChem (CID 53038205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).