N-(2-ethylpyrazol-3-yl)-6-(4-morpholin-4-ylsulfonylphenyl)quinolin-4-amine

C24H25N5O3S — CID 134153741

IUPACN-(2-ethylpyrazol-3-yl)-6-(4-morpholin-4-ylsulfonylphenyl)quinolin-4-amine
SMILESCCn1nccc1Nc1ccnc2ccc(-c3ccc(S(=O)(=O)N4CCOCC4)cc3)cc12
InChIInChI=1S/C24H25N5O3S/c1-2-29-24(10-12-26-29)27-23-9-11-25-22-8-5-19(17-21(22)23)18-3-6-20(7-4-18)33(30,31)28-13-15-32-16-14-28/h3-12,17H,2,13-16H2,1H3,(H,25,27)
InChIKeyBOWPCFWHLSTTRN-UHFFFAOYSA-N
MW463.56 g/mol
LogP3.88
Rot. Bonds6

About N-(2-ethylpyrazol-3-yl)-6-(4-morpholin-4-ylsulfonylphenyl)quinolin-4-amine

N-(2-ethylpyrazol-3-yl)-6-(4-morpholin-4-ylsulfonylphenyl)quinolin-4-amine (PubChem CID 134153741) has the molecular formula C24H25N5O3S and a molecular weight of 463.56 g/mol. Its IUPAC name is N-(2-ethylpyrazol-3-yl)-6-(4-morpholin-4-ylsulfonylphenyl)quinolin-4-amine.

Molecular Properties

Compound NameN-(2-ethylpyrazol-3-yl)-6-(4-morpholin-4-ylsulfonylphenyl)quinolin-4-amine
PubChem CID134153741
Molecular FormulaC24H25N5O3S
Molecular Weight463.56 g/mol
Exact Mass463.17
IUPAC NameN-(2-ethylpyrazol-3-yl)-6-(4-morpholin-4-ylsulfonylphenyl)quinolin-4-amine
SMILESCCn1nccc1Nc1ccnc2ccc(-c3ccc(S(=O)(=O)N4CCOCC4)cc3)cc12
InChIInChI=1S/C24H25N5O3S/c1-2-29-24(10-12-26-29)27-23-9-11-25-22-8-5-19(17-21(22)23)18-3-6-20(7-4-18)33(30,31)28-13-15-32-16-14-28/h3-12,17H,2,13-16H2,1H3,(H,25,27)
InChIKeyBOWPCFWHLSTTRN-UHFFFAOYSA-N
XLogP3.88
TPSA89.35 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.56
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2,3-dimethyl-4-[4-[5-methyl-3-(2-morpholin-4-yl-4-pyridinyl)-1H-pyrazol-4-yl]phenyl]benzenesulfonamide
CID 166490587
2,3-dimethyl-4-[4-[5-(2-morpholin-4-yl-4-pyridinyl)-1H-pyrazol-4-yl]phenyl]benzenesulfonamide
CID 166490659
3-[4-[5-methyl-3-(2-morpholin-4-yl-4-pyridinyl)-1H-pyrazol-4-yl]phenyl]benzenesulfonamide
CID 166490742
N-[4-[8-morpholin-4-yl-2-(2-quinolin-2-ylethyl)imidazo[1,2-b]pyridazin-3-yl]phenyl]sulfonylacetamide
CID 117728520
6-(4-morpholin-4-ylsulfonylphenyl)-N-pyrimidin-4-ylquinolin-4-amine
CID 134139774
6-(4-morpholin-4-ylsulfonylphenyl)-N-pyridin-4-ylquinolin-4-amine
CID 134142500
N-(5-chloropyrimidin-2-yl)-6-(4-morpholin-4-ylsulfonylphenyl)quinolin-4-amine
CID 134144337
3-methyl-N-[6-(4-morpholin-4-ylsulfonylphenyl)quinolin-4-yl]-1,2-thiazol-5-amine
CID 134145403
4-methyl-N-(6-quinolin-8-ylpyridazin-3-yl)benzenesulfonamide
CID 149094700
6-(4-morpholin-4-ylsulfonylphenyl)-N-(2-pyrrolidin-1-ylethyl)quinolin-4-amine
CID 155541467
4-[2-[[1-(2,4-Dimethylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]ethyl]benzenesulfonamide
CID 1078537
[8-(4-Methanesulfonyl-phenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-(4-morpholin-4-ylmethyl-phenyl)-amine
CID 67481528

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylpyrazol-3-yl)-6-(4-morpholin-4-ylsulfonylphenyl)quinolin-4-amine?
The IUPAC name of N-(2-ethylpyrazol-3-yl)-6-(4-morpholin-4-ylsulfonylphenyl)quinolin-4-amine (CID 134153741) is N-(2-ethylpyrazol-3-yl)-6-(4-morpholin-4-ylsulfonylphenyl)quinolin-4-amine.
What is the SMILES notation for N-(2-ethylpyrazol-3-yl)-6-(4-morpholin-4-ylsulfonylphenyl)quinolin-4-amine?
The canonical SMILES for N-(2-ethylpyrazol-3-yl)-6-(4-morpholin-4-ylsulfonylphenyl)quinolin-4-amine is CCn1nccc1Nc1ccnc2ccc(-c3ccc(S(=O)(=O)N4CCOCC4)cc3)cc12.
What is the InChIKey of N-(2-ethylpyrazol-3-yl)-6-(4-morpholin-4-ylsulfonylphenyl)quinolin-4-amine?
The InChIKey is BOWPCFWHLSTTRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O3S/c1-2-29-24(10-12-26-29)27-23-9-11-25-22-8-5-19(17-21(22)23)18-3-6-20(7-4-18)33(30,31)28-13-15-32-16-14-28/h3-12,17H,2,13-16H2,1H3,(H,25,27).
What are the key properties of N-(2-ethylpyrazol-3-yl)-6-(4-morpholin-4-ylsulfonylphenyl)quinolin-4-amine?
N-(2-ethylpyrazol-3-yl)-6-(4-morpholin-4-ylsulfonylphenyl)quinolin-4-amine has a molecular weight of 463.56 g/mol, XLogP of 3.88, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylpyrazol-3-yl)-6-(4-morpholin-4-ylsulfonylphenyl)quinolin-4-amine is sourced from PubChem (CID 134153741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).