N-quinolin-3-yl-6-[3-(trifluoromethoxy)phenyl]sulfonyl-7,8-dihydro-5H-2,6-naphthyridin-1-amine

C24H19F3N4O3S — CID 42644327

IUPACN-quinolin-3-yl-6-[3-(trifluoromethoxy)phenyl]sulfonyl-7,8-dihydro-5H-2,6-naphthyridin-1-amine
SMILESO=S(=O)(c1cccc(OC(F)(F)F)c1)N1CCc2c(ccnc2Nc2cnc3ccccc3c2)C1
InChIInChI=1S/C24H19F3N4O3S/c25-24(26,27)34-19-5-3-6-20(13-19)35(32,33)31-11-9-21-17(15-31)8-10-28-23(21)30-18-12-16-4-1-2-7-22(16)29-14-18/h1-8,10,12-14H,9,11,15H2,(H,28,30)
InChIKeyPRDJLLGNBGLLLO-UHFFFAOYSA-N
MW500.50 g/mol
LogP5.02
Rot. Bonds5

About N-quinolin-3-yl-6-[3-(trifluoromethoxy)phenyl]sulfonyl-7,8-dihydro-5H-2,6-naphthyridin-1-amine

N-quinolin-3-yl-6-[3-(trifluoromethoxy)phenyl]sulfonyl-7,8-dihydro-5H-2,6-naphthyridin-1-amine (PubChem CID 42644327) has the molecular formula C24H19F3N4O3S and a molecular weight of 500.50 g/mol. Its IUPAC name is N-quinolin-3-yl-6-[3-(trifluoromethoxy)phenyl]sulfonyl-7,8-dihydro-5H-2,6-naphthyridin-1-amine.

Molecular Properties

Compound NameN-quinolin-3-yl-6-[3-(trifluoromethoxy)phenyl]sulfonyl-7,8-dihydro-5H-2,6-naphthyridin-1-amine
PubChem CID42644327
Molecular FormulaC24H19F3N4O3S
Molecular Weight500.50 g/mol
Exact Mass500.11
IUPAC NameN-quinolin-3-yl-6-[3-(trifluoromethoxy)phenyl]sulfonyl-7,8-dihydro-5H-2,6-naphthyridin-1-amine
SMILESO=S(=O)(c1cccc(OC(F)(F)F)c1)N1CCc2c(ccnc2Nc2cnc3ccccc3c2)C1
InChIInChI=1S/C24H19F3N4O3S/c25-24(26,27)34-19-5-3-6-20(13-19)35(32,33)31-11-9-21-17(15-31)8-10-28-23(21)30-18-12-16-4-1-2-7-22(16)29-14-18/h1-8,10,12-14H,9,11,15H2,(H,28,30)
InChIKeyPRDJLLGNBGLLLO-UHFFFAOYSA-N
XLogP5.02
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.50
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2,4-difluoro-N-[2-methoxy-5-(4-pyridin-4-ylquinazolin-6-yl)-3-pyridinyl]benzenesulfonamide
CID 122178110
N-[5-(2-amino-4-pyridin-4-ylquinazolin-6-yl)-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide
CID 122178113
N-[[1-(benzenesulfonyl)indol-3-yl]methyl]-N'-(4-methoxyquinolin-2-yl)propane-1,3-diamine
CID 10185400
N-(4-fluorophenyl)-1-(4-methoxyphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-amine
CID 50940069
2,4-difluoro-N-[2-methoxy-5-[4-(4-morpholinyl)-6-quinazolinyl]-3-pyridinyl]Benzenesulfonamide
CID 57545876
N-[5-(2-amino-3-phenyl-6-quinolyl)-2-methoxy-3-pyridyl]-2,4-difluoro-benzenesulfonamide
CID 66800530
N-[5-[2-amino-3-(4-morpholinophenyl)-6-quinolyl]-2-methoxy-3-pyridyl]-2,4-difluoro-benzenesulfonamide
CID 66806967
N-[5-(2-Amino-4-methylpyrido[2,3-d]pyrimidin-6-yl)-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide
CID 76321298
1-(3-Methoxyphenyl)sulfonyl-4-piperazin-1-ylpyrrolo[3,2-c]quinoline
CID 90469185
N-[5-(2-amino-4-methylpyrido[2,3-d]pyrimidin-6-yl)-2-methoxy-3-pyridinyl]benzenesulfonamide
CID 118321320
N-[5-(2-amino-4-methylpyrido[2,3-d]pyrimidin-6-yl)-2-methoxy-3-pyridinyl]-4-methoxybenzenesulfonamide
CID 118321322
N-[5-(2-amino-4-methylpyrido[2,3-d]pyrimidin-6-yl)-2-methoxypyridin-3-yl]-4-(trifluoromethyl)benzenesulfonamide
CID 118321327

Frequently Asked Questions

What is the IUPAC name of N-quinolin-3-yl-6-[3-(trifluoromethoxy)phenyl]sulfonyl-7,8-dihydro-5H-2,6-naphthyridin-1-amine?
The IUPAC name of N-quinolin-3-yl-6-[3-(trifluoromethoxy)phenyl]sulfonyl-7,8-dihydro-5H-2,6-naphthyridin-1-amine (CID 42644327) is N-quinolin-3-yl-6-[3-(trifluoromethoxy)phenyl]sulfonyl-7,8-dihydro-5H-2,6-naphthyridin-1-amine.
What is the SMILES notation for N-quinolin-3-yl-6-[3-(trifluoromethoxy)phenyl]sulfonyl-7,8-dihydro-5H-2,6-naphthyridin-1-amine?
The canonical SMILES for N-quinolin-3-yl-6-[3-(trifluoromethoxy)phenyl]sulfonyl-7,8-dihydro-5H-2,6-naphthyridin-1-amine is O=S(=O)(c1cccc(OC(F)(F)F)c1)N1CCc2c(ccnc2Nc2cnc3ccccc3c2)C1.
What is the InChIKey of N-quinolin-3-yl-6-[3-(trifluoromethoxy)phenyl]sulfonyl-7,8-dihydro-5H-2,6-naphthyridin-1-amine?
The InChIKey is PRDJLLGNBGLLLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F3N4O3S/c25-24(26,27)34-19-5-3-6-20(13-19)35(32,33)31-11-9-21-17(15-31)8-10-28-23(21)30-18-12-16-4-1-2-7-22(16)29-14-18/h1-8,10,12-14H,9,11,15H2,(H,28,30).
What are the key properties of N-quinolin-3-yl-6-[3-(trifluoromethoxy)phenyl]sulfonyl-7,8-dihydro-5H-2,6-naphthyridin-1-amine?
N-quinolin-3-yl-6-[3-(trifluoromethoxy)phenyl]sulfonyl-7,8-dihydro-5H-2,6-naphthyridin-1-amine has a molecular weight of 500.50 g/mol, XLogP of 5.02, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-quinolin-3-yl-6-[3-(trifluoromethoxy)phenyl]sulfonyl-7,8-dihydro-5H-2,6-naphthyridin-1-amine is sourced from PubChem (CID 42644327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).