2-(1,3-benzothiazol-6-yloxy)-N-(5-cyclopropyl-1H-pyrazol-3-yl)quinolin-4-amine;3-(1,3-benzothiazol-6-yloxy)-N-(5-methyl-1H-pyrazol-3-yl)isoquinolin-1-amine;N-[4-[1-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]isoquinolin-3-yl]oxyphenyl]acetamide;N-(1H-indazol-3-yl)-2-(thiophen-2-ylmethoxy)quinolin-4-amine;N-[4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinolin-2-yl]oxyphenyl]acetamide

C107H88N24O7S3 — CID 159591652

IUPAC2-(1,3-benzothiazol-6-yloxy)-N-(5-cyclopropyl-1H-pyrazol-3-yl)quinolin-4-amine;3-(1,3-benzothiazol-6-yloxy)-N-(5-methyl-1H-pyrazol-3-yl)isoquinolin-1-amine;N-[4-[1-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]isoquinolin-3-yl]oxyphenyl]acetamide;N-(1H-indazol-3-yl)-2-(thiophen-2-ylmethoxy)quinolin-4-amine;N-[4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinolin-2-yl]oxyphenyl]acetamide
SMILESCC(=O)Nc1ccc(Oc2cc(Nc3cc(C)[nH]n3)c3ccccc3n2)cc1.CC(=O)Nc1ccc(Oc2cc3ccccc3c(Nc3cc(C4CC4)[nH]n3)n2)cc1.Cc1cc(Nc2nc(Oc3ccc4ncsc4c3)cc3ccccc23)n[nH]1.c1ccc2c(Nc3cc(C4CC4)[nH]n3)cc(Oc3ccc4ncsc4c3)nc2c1.c1csc(COc2cc(Nc3n[nH]c4ccccc34)c3ccccc3n2)c1
InChIInChI=1S/C23H21N5O2.C22H17N5OS.C21H19N5O2.C21H16N4OS.C20H15N5OS/c1-14(29)24-17-8-10-18(11-9-17)30-22-12-16-4-2-3-5-19(16)23(26-22)25-21-13-20(27-28-21)15-6-7-15;1-2-4-16-15(3-1)19(24-21-10-18(26-27-21)13-5-6-13)11-22(25-16)28-14-7-8-17-20(9-14)29-12-23-17;1-13-11-20(26-25-13)23-19-12-21(24-18-6-4-3-5-17(18)19)28-16-9-7-15(8-10-16)22-14(2)27;1-3-9-17-15(7-1)19(12-20(22-17)26-13-14-6-5-11-27-14)23-21-16-8-2-4-10-18(16)24-25-21;1-12-8-18(25-24-12)22-20-15-5-3-2-4-13(15)9-19(23-20)26-14-6-7-16-17(10-14)27-11-21-16/h2-5,8-13,15H,6-7H2,1H3,(H,24,29)(H2,25,26,27,28);1-4,7-13H,5-6H2,(H2,24,25,26,27);3-12H,1-2H3,(H,22,27)(H2,23,24,25,26);1-12H,13H2,(H2,22,23,24,25);2-11H,1H3,(H2,22,23,24,25)
InChIKeyMKHXYIYZTXUPRM-UHFFFAOYSA-N
MW1918.24 g/mol
LogP26.98
Rot. Bonds25

About 2-(1,3-benzothiazol-6-yloxy)-N-(5-cyclopropyl-1H-pyrazol-3-yl)quinolin-4-amine;3-(1,3-benzothiazol-6-yloxy)-N-(5-methyl-1H-pyrazol-3-yl)isoquinolin-1-amine;N-[4-[1-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]isoquinolin-3-yl]oxyphenyl]acetamide;N-(1H-indazol-3-yl)-2-(thiophen-2-ylmethoxy)quinolin-4-amine;N-[4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinolin-2-yl]oxyphenyl]acetamide

2-(1,3-benzothiazol-6-yloxy)-N-(5-cyclopropyl-1H-pyrazol-3-yl)quinolin-4-amine;3-(1,3-benzothiazol-6-yloxy)-N-(5-methyl-1H-pyrazol-3-yl)isoquinolin-1-amine;N-[4-[1-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]isoquinolin-3-yl]oxyphenyl]acetamide;N-(1H-indazol-3-yl)-2-(thiophen-2-ylmethoxy)quinolin-4-amine;N-[4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinolin-2-yl]oxyphenyl]acetamide (PubChem CID 159591652) has the molecular formula C107H88N24O7S3 and a molecular weight of 1918.24 g/mol. Its IUPAC name is 2-(1,3-benzothiazol-6-yloxy)-N-(5-cyclopropyl-1H-pyrazol-3-yl)quinolin-4-amine;3-(1,3-benzothiazol-6-yloxy)-N-(5-methyl-1H-pyrazol-3-yl)isoquinolin-1-amine;N-[4-[1-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]isoquinolin-3-yl]oxyphenyl]acetamide;N-(1H-indazol-3-yl)-2-(thiophen-2-ylmethoxy)quinolin-4-amine;N-[4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinolin-2-yl]oxyphenyl]acetamide.

Molecular Properties

Compound Name2-(1,3-benzothiazol-6-yloxy)-N-(5-cyclopropyl-1H-pyrazol-3-yl)quinolin-4-amine;3-(1,3-benzothiazol-6-yloxy)-N-(5-methyl-1H-pyrazol-3-yl)isoquinolin-1-amine;N-[4-[1-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]isoquinolin-3-yl]oxyphenyl]acetamide;N-(1H-indazol-3-yl)-2-(thiophen-2-ylmethoxy)quinolin-4-amine;N-[4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinolin-2-yl]oxyphenyl]acetamide
PubChem CID159591652
Molecular FormulaC107H88N24O7S3
Molecular Weight1918.24 g/mol
Exact Mass1916.64
IUPAC Name2-(1,3-benzothiazol-6-yloxy)-N-(5-cyclopropyl-1H-pyrazol-3-yl)quinolin-4-amine;3-(1,3-benzothiazol-6-yloxy)-N-(5-methyl-1H-pyrazol-3-yl)isoquinolin-1-amine;N-[4-[1-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]isoquinolin-3-yl]oxyphenyl]acetamide;N-(1H-indazol-3-yl)-2-(thiophen-2-ylmethoxy)quinolin-4-amine;N-[4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinolin-2-yl]oxyphenyl]acetamide
SMILESCC(=O)Nc1ccc(Oc2cc(Nc3cc(C)[nH]n3)c3ccccc3n2)cc1.CC(=O)Nc1ccc(Oc2cc3ccccc3c(Nc3cc(C4CC4)[nH]n3)n2)cc1.Cc1cc(Nc2nc(Oc3ccc4ncsc4c3)cc3ccccc23)n[nH]1.c1ccc2c(Nc3cc(C4CC4)[nH]n3)cc(Oc3ccc4ncsc4c3)nc2c1.c1csc(COc2cc(Nc3n[nH]c4ccccc34)c3ccccc3n2)c1
InChIInChI=1S/C23H21N5O2.C22H17N5OS.C21H19N5O2.C21H16N4OS.C20H15N5OS/c1-14(29)24-17-8-10-18(11-9-17)30-22-12-16-4-2-3-5-19(16)23(26-22)25-21-13-20(27-28-21)15-6-7-15;1-2-4-16-15(3-1)19(24-21-10-18(26-27-21)13-5-6-13)11-22(25-16)28-14-7-8-17-20(9-14)29-12-23-17;1-13-11-20(26-25-13)23-19-12-21(24-18-6-4-3-5-17(18)19)28-16-9-7-15(8-10-16)22-14(2)27;1-3-9-17-15(7-1)19(12-20(22-17)26-13-14-6-5-11-27-14)23-21-16-8-2-4-10-18(16)24-25-21;1-12-8-18(25-24-12)22-20-15-5-3-2-4-13(15)9-19(23-20)26-14-6-7-16-17(10-14)27-11-21-16/h2-5,8-13,15H,6-7H2,1H3,(H,24,29)(H2,25,26,27,28);1-4,7-13H,5-6H2,(H2,24,25,26,27);3-12H,1-2H3,(H,22,27)(H2,23,24,25,26);1-12H,13H2,(H2,22,23,24,25);2-11H,1H3,(H2,22,23,24,25)
InChIKeyMKHXYIYZTXUPRM-UHFFFAOYSA-N
XLogP26.98
TPSA398.13 Ų
H-Bond Donors12
H-Bond Acceptors27
Rotatable Bonds25
Heavy Atoms141
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001918.24
LogP ≤ 526.98
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1027

Analyze 2-(1,3-benzothiazol-6-yloxy)-N-(5-cyclopropyl-1H-pyrazol-3-yl)quinolin-4-amine;3-(1,3-benzothiazol-6-yloxy)-N-(5-methyl-1H-pyrazol-3-yl)isoquinolin-1-amine;N-[4-[1-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]isoquinolin-3-yl]oxyphenyl]acetamide;N-(1H-indazol-3-yl)-2-(thiophen-2-ylmethoxy)quinolin-4-amine;N-[4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinolin-2-yl]oxyphenyl]acetamide with MolForge

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Related Compounds

N-[2-(1,3-benzothiazol-6-yloxy)-6-(3-methylphenyl)pyrimidin-4-yl]indazol-1-amine;N-(4-cyclopropylpyrazol-1-yl)-2-[(3-fluorophenyl)methoxy]-6-methylpyrimidin-4-amine;4-[7-[2-(dimethylamino)ethoxy]-4-(indazol-1-ylamino)quinazolin-2-yl]oxybenzonitrile;6-[(dimethylamino)methyl]-N-(4-ethylpyrazol-1-yl)-2-thiophen-2-ylpyrimidin-4-amine;N-indazol-1-yl-2-phenyl-5H-pyrrolo[3,2-d]pyrimidin-4-amine
CID 157612702
2-(1,3-benzothiazol-6-yloxy)-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyridin-4-amine;6-(1,3-benzothiazol-6-yloxy)-N-(5-methyl-1H-pyrazol-3-yl)pyridin-2-amine;N-(1H-indazol-3-yl)-3-(3-methoxyphenoxy)isoquinolin-1-amine;N-[4-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]oxy]phenyl]acetamide;N-[2-(thiophen-2-ylmethoxy)-4-pyridinyl]-1H-indazol-3-amine
CID 159337375
2-N-(1,3-benzothiazol-6-yl)-4-N-indazol-1-yl-2-N-methyl-6-(4-methylpiperazin-1-yl)pyrimidine-2,4-diamine;4-N-(4-cyclopropylpyrazol-1-yl)-2-N-ethyl-2-N-[(3-fluorophenyl)methyl]-5,6-dimethylpyrimidine-2,4-diamine;2-N-ethyl-2-N-(2-phenylethyl)-4-N-pyrazol-1-ylquinazoline-2,4-diamine;N-[4-(methoxymethyl)pyrazol-1-yl]-2-(3-methoxyphenyl)sulfanylquinazolin-4-amine;N-[4-[4-[(4-methylpyrazol-1-yl)amino]quinazolin-2-yl]oxyphenyl]acetamide
CID 160626567
2-N-(3-cyclopropyl-1-methylpyrazol-5-yl)-4-N-(1H-indazol-5-yl)-6,7-dihydrothieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(4-methoxyphenyl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(3-phenoxyphenyl)-6,7-dihydrothieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(4-pyridin-3-ylsulfanylphenyl)thieno[3,2-d]pyrimidine-2,4-diamine
CID 161458958
2-(1,3-benzothiazol-6-ylsulfanyl)-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyridin-4-amine;6-(1,3-benzothiazol-6-ylsulfanyl)-N-(5-methyl-1H-pyrazol-3-yl)pyridin-2-amine;N-(1H-indazol-3-yl)-3-(3-methoxyphenyl)sulfanylisoquinolin-1-amine;N-[4-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]sulfanyl]phenyl]acetamide;N-[2-(thiophen-2-ylmethylsulfanyl)-4-pyridinyl]-1H-indazol-3-amine
CID 161960209

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzothiazol-6-yloxy)-N-(5-cyclopropyl-1H-pyrazol-3-yl)quinolin-4-amine;3-(1,3-benzothiazol-6-yloxy)-N-(5-methyl-1H-pyrazol-3-yl)isoquinolin-1-amine;N-[4-[1-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]isoquinolin-3-yl]oxyphenyl]acetamide;N-(1H-indazol-3-yl)-2-(thiophen-2-ylmethoxy)quinolin-4-amine;N-[4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinolin-2-yl]oxyphenyl]acetamide?
The IUPAC name of 2-(1,3-benzothiazol-6-yloxy)-N-(5-cyclopropyl-1H-pyrazol-3-yl)quinolin-4-amine;3-(1,3-benzothiazol-6-yloxy)-N-(5-methyl-1H-pyrazol-3-yl)isoquinolin-1-amine;N-[4-[1-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]isoquinolin-3-yl]oxyphenyl]acetamide;N-(1H-indazol-3-yl)-2-(thiophen-2-ylmethoxy)quinolin-4-amine;N-[4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinolin-2-yl]oxyphenyl]acetamide (CID 159591652) is 2-(1,3-benzothiazol-6-yloxy)-N-(5-cyclopropyl-1H-pyrazol-3-yl)quinolin-4-amine;3-(1,3-benzothiazol-6-yloxy)-N-(5-methyl-1H-pyrazol-3-yl)isoquinolin-1-amine;N-[4-[1-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]isoquinolin-3-yl]oxyphenyl]acetamide;N-(1H-indazol-3-yl)-2-(thiophen-2-ylmethoxy)quinolin-4-amine;N-[4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinolin-2-yl]oxyphenyl]acetamide.
What is the SMILES notation for 2-(1,3-benzothiazol-6-yloxy)-N-(5-cyclopropyl-1H-pyrazol-3-yl)quinolin-4-amine;3-(1,3-benzothiazol-6-yloxy)-N-(5-methyl-1H-pyrazol-3-yl)isoquinolin-1-amine;N-[4-[1-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]isoquinolin-3-yl]oxyphenyl]acetamide;N-(1H-indazol-3-yl)-2-(thiophen-2-ylmethoxy)quinolin-4-amine;N-[4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinolin-2-yl]oxyphenyl]acetamide?
The canonical SMILES for 2-(1,3-benzothiazol-6-yloxy)-N-(5-cyclopropyl-1H-pyrazol-3-yl)quinolin-4-amine;3-(1,3-benzothiazol-6-yloxy)-N-(5-methyl-1H-pyrazol-3-yl)isoquinolin-1-amine;N-[4-[1-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]isoquinolin-3-yl]oxyphenyl]acetamide;N-(1H-indazol-3-yl)-2-(thiophen-2-ylmethoxy)quinolin-4-amine;N-[4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinolin-2-yl]oxyphenyl]acetamide is CC(=O)Nc1ccc(Oc2cc(Nc3cc(C)[nH]n3)c3ccccc3n2)cc1.CC(=O)Nc1ccc(Oc2cc3ccccc3c(Nc3cc(C4CC4)[nH]n3)n2)cc1.Cc1cc(Nc2nc(Oc3ccc4ncsc4c3)cc3ccccc23)n[nH]1.c1ccc2c(Nc3cc(C4CC4)[nH]n3)cc(Oc3ccc4ncsc4c3)nc2c1.c1csc(COc2cc(Nc3n[nH]c4ccccc34)c3ccccc3n2)c1.
What is the InChIKey of 2-(1,3-benzothiazol-6-yloxy)-N-(5-cyclopropyl-1H-pyrazol-3-yl)quinolin-4-amine;3-(1,3-benzothiazol-6-yloxy)-N-(5-methyl-1H-pyrazol-3-yl)isoquinolin-1-amine;N-[4-[1-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]isoquinolin-3-yl]oxyphenyl]acetamide;N-(1H-indazol-3-yl)-2-(thiophen-2-ylmethoxy)quinolin-4-amine;N-[4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinolin-2-yl]oxyphenyl]acetamide?
The InChIKey is MKHXYIYZTXUPRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O2.C22H17N5OS.C21H19N5O2.C21H16N4OS.C20H15N5OS/c1-14(29)24-17-8-10-18(11-9-17)30-22-12-16-4-2-3-5-19(16)23(26-22)25-21-13-20(27-28-21)15-6-7-15;1-2-4-16-15(3-1)19(24-21-10-18(26-27-21)13-5-6-13)11-22(25-16)28-14-7-8-17-20(9-14)29-12-23-17;1-13-11-20(26-25-13)23-19-12-21(24-18-6-4-3-5-17(18)19)28-16-9-7-15(8-10-16)22-14(2)27;1-3-9-17-15(7-1)19(12-20(22-17)26-13-14-6-5-11-27-14)23-21-16-8-2-4-10-18(16)24-25-21;1-12-8-18(25-24-12)22-20-15-5-3-2-4-13(15)9-19(23-20)26-14-6-7-16-17(10-14)27-11-21-16/h2-5,8-13,15H,6-7H2,1H3,(H,24,29)(H2,25,26,27,28);1-4,7-13H,5-6H2,(H2,24,25,26,27);3-12H,1-2H3,(H,22,27)(H2,23,24,25,26);1-12H,13H2,(H2,22,23,24,25);2-11H,1H3,(H2,22,23,24,25).
What are the key properties of 2-(1,3-benzothiazol-6-yloxy)-N-(5-cyclopropyl-1H-pyrazol-3-yl)quinolin-4-amine;3-(1,3-benzothiazol-6-yloxy)-N-(5-methyl-1H-pyrazol-3-yl)isoquinolin-1-amine;N-[4-[1-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]isoquinolin-3-yl]oxyphenyl]acetamide;N-(1H-indazol-3-yl)-2-(thiophen-2-ylmethoxy)quinolin-4-amine;N-[4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinolin-2-yl]oxyphenyl]acetamide?
2-(1,3-benzothiazol-6-yloxy)-N-(5-cyclopropyl-1H-pyrazol-3-yl)quinolin-4-amine;3-(1,3-benzothiazol-6-yloxy)-N-(5-methyl-1H-pyrazol-3-yl)isoquinolin-1-amine;N-[4-[1-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]isoquinolin-3-yl]oxyphenyl]acetamide;N-(1H-indazol-3-yl)-2-(thiophen-2-ylmethoxy)quinolin-4-amine;N-[4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinolin-2-yl]oxyphenyl]acetamide has a molecular weight of 1918.24 g/mol, XLogP of 26.98, 25 rotatable bonds, 12 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzothiazol-6-yloxy)-N-(5-cyclopropyl-1H-pyrazol-3-yl)quinolin-4-amine;3-(1,3-benzothiazol-6-yloxy)-N-(5-methyl-1H-pyrazol-3-yl)isoquinolin-1-amine;N-[4-[1-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]isoquinolin-3-yl]oxyphenyl]acetamide;N-(1H-indazol-3-yl)-2-(thiophen-2-ylmethoxy)quinolin-4-amine;N-[4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinolin-2-yl]oxyphenyl]acetamide is sourced from PubChem (CID 159591652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).