2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]quinoxaline;2-[(5-phenyl-3H-pyrrol-2-yl)methoxy]quinoxaline;N-[(5-phenyl-3H-pyrrol-2-yl)methyl]quinoxalin-2-amine;2-[(5-phenyl-3H-pyrrol-2-yl)oxymethyl]quinoxaline;2-[(5-phenyl-3H-pyrrol-2-yl)sulfanylmethyl]quinoxaline;2-(2-quinoxalin-2-ylethyl)-1,3-benzothiazole

C110H86N20O2S3 — CID 158751305

IUPAC2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]quinoxaline;2-[(5-phenyl-3H-pyrrol-2-yl)methoxy]quinoxaline;N-[(5-phenyl-3H-pyrrol-2-yl)methyl]quinoxalin-2-amine;2-[(5-phenyl-3H-pyrrol-2-yl)oxymethyl]quinoxaline;2-[(5-phenyl-3H-pyrrol-2-yl)sulfanylmethyl]quinoxaline;2-(2-quinoxalin-2-ylethyl)-1,3-benzothiazole
SMILESC1=C(c2ccccc2)N=C(CNc2cnc3ccccc3n2)C1.C1=C(c2ccccc2)N=C(COc2cnc3ccccc3n2)C1.C1=C(c2ccccc2)N=C(OCc2cnc3ccccc3n2)C1.C1=C(c2ccccc2)N=C(SCc2cnc3ccccc3n2)C1.c1ccc(-c2cnc(Sc3cnc4ccccc4n3)[nH]2)cc1.c1ccc2nc(CCc3nc4ccccc4s3)cnc2c1
InChIInChI=1S/C19H16N4.2C19H15N3O.C19H15N3S.C17H12N4S.C17H13N3S/c1-2-6-14(7-3-1)16-11-10-15(22-16)12-21-19-13-20-17-8-4-5-9-18(17)23-19;1-2-6-14(7-3-1)16-10-11-19(22-16)23-13-15-12-20-17-8-4-5-9-18(17)21-15;1-2-6-14(7-3-1)16-11-10-15(21-16)13-23-19-12-20-17-8-4-5-9-18(17)22-19;1-2-6-14(7-3-1)16-10-11-19(22-16)23-13-15-12-20-17-8-4-5-9-18(17)21-15;1-2-6-12(7-3-1)15-10-19-17(21-15)22-16-11-18-13-8-4-5-9-14(13)20-16;1-2-6-14-13(5-1)18-11-12(19-14)9-10-17-20-15-7-3-4-8-16(15)21-17/h1-9,11,13H,10,12H2,(H,21,23);1-10,12H,11,13H2;1-9,11-12H,10,13H2;1-10,12H,11,13H2;1-11H,(H,19,21);1-8,11H,9-10H2
InChIKeyINNBHRCQSGXRJL-UHFFFAOYSA-N
MW1816.24 g/mol
LogP24.71
Rot. Bonds20

About 2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]quinoxaline;2-[(5-phenyl-3H-pyrrol-2-yl)methoxy]quinoxaline;N-[(5-phenyl-3H-pyrrol-2-yl)methyl]quinoxalin-2-amine;2-[(5-phenyl-3H-pyrrol-2-yl)oxymethyl]quinoxaline;2-[(5-phenyl-3H-pyrrol-2-yl)sulfanylmethyl]quinoxaline;2-(2-quinoxalin-2-ylethyl)-1,3-benzothiazole

2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]quinoxaline;2-[(5-phenyl-3H-pyrrol-2-yl)methoxy]quinoxaline;N-[(5-phenyl-3H-pyrrol-2-yl)methyl]quinoxalin-2-amine;2-[(5-phenyl-3H-pyrrol-2-yl)oxymethyl]quinoxaline;2-[(5-phenyl-3H-pyrrol-2-yl)sulfanylmethyl]quinoxaline;2-(2-quinoxalin-2-ylethyl)-1,3-benzothiazole (PubChem CID 158751305) has the molecular formula C110H86N20O2S3 and a molecular weight of 1816.24 g/mol. Its IUPAC name is 2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]quinoxaline;2-[(5-phenyl-3H-pyrrol-2-yl)methoxy]quinoxaline;N-[(5-phenyl-3H-pyrrol-2-yl)methyl]quinoxalin-2-amine;2-[(5-phenyl-3H-pyrrol-2-yl)oxymethyl]quinoxaline;2-[(5-phenyl-3H-pyrrol-2-yl)sulfanylmethyl]quinoxaline;2-(2-quinoxalin-2-ylethyl)-1,3-benzothiazole.

Molecular Properties

Compound Name2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]quinoxaline;2-[(5-phenyl-3H-pyrrol-2-yl)methoxy]quinoxaline;N-[(5-phenyl-3H-pyrrol-2-yl)methyl]quinoxalin-2-amine;2-[(5-phenyl-3H-pyrrol-2-yl)oxymethyl]quinoxaline;2-[(5-phenyl-3H-pyrrol-2-yl)sulfanylmethyl]quinoxaline;2-(2-quinoxalin-2-ylethyl)-1,3-benzothiazole
PubChem CID158751305
Molecular FormulaC110H86N20O2S3
Molecular Weight1816.24 g/mol
Exact Mass1814.64
IUPAC Name2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]quinoxaline;2-[(5-phenyl-3H-pyrrol-2-yl)methoxy]quinoxaline;N-[(5-phenyl-3H-pyrrol-2-yl)methyl]quinoxalin-2-amine;2-[(5-phenyl-3H-pyrrol-2-yl)oxymethyl]quinoxaline;2-[(5-phenyl-3H-pyrrol-2-yl)sulfanylmethyl]quinoxaline;2-(2-quinoxalin-2-ylethyl)-1,3-benzothiazole
SMILESC1=C(c2ccccc2)N=C(CNc2cnc3ccccc3n2)C1.C1=C(c2ccccc2)N=C(COc2cnc3ccccc3n2)C1.C1=C(c2ccccc2)N=C(OCc2cnc3ccccc3n2)C1.C1=C(c2ccccc2)N=C(SCc2cnc3ccccc3n2)C1.c1ccc(-c2cnc(Sc3cnc4ccccc4n3)[nH]2)cc1.c1ccc2nc(CCc3nc4ccccc4s3)cnc2c1
InChIInChI=1S/C19H16N4.2C19H15N3O.C19H15N3S.C17H12N4S.C17H13N3S/c1-2-6-14(7-3-1)16-11-10-15(22-16)12-21-19-13-20-17-8-4-5-9-18(17)23-19;1-2-6-14(7-3-1)16-10-11-19(22-16)23-13-15-12-20-17-8-4-5-9-18(17)21-15;1-2-6-14(7-3-1)16-11-10-15(21-16)13-23-19-12-20-17-8-4-5-9-18(17)22-19;1-2-6-14(7-3-1)16-10-11-19(22-16)23-13-15-12-20-17-8-4-5-9-18(17)21-15;1-2-6-12(7-3-1)15-10-19-17(21-15)22-16-11-18-13-8-4-5-9-14(13)20-16;1-2-6-14-13(5-1)18-11-12(19-14)9-10-17-20-15-7-3-4-8-16(15)21-17/h1-9,11,13H,10,12H2,(H,21,23);1-10,12H,11,13H2;1-9,11-12H,10,13H2;1-10,12H,11,13H2;1-11H,(H,19,21);1-8,11H,9-10H2
InChIKeyINNBHRCQSGXRJL-UHFFFAOYSA-N
XLogP24.71
TPSA276.18 Ų
H-Bond Donors2
H-Bond Acceptors24
Rotatable Bonds20
Heavy Atoms135
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001816.24
LogP ≤ 524.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1024

Analyze 2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]quinoxaline;2-[(5-phenyl-3H-pyrrol-2-yl)methoxy]quinoxaline;N-[(5-phenyl-3H-pyrrol-2-yl)methyl]quinoxalin-2-amine;2-[(5-phenyl-3H-pyrrol-2-yl)oxymethyl]quinoxaline;2-[(5-phenyl-3H-pyrrol-2-yl)sulfanylmethyl]quinoxaline;2-(2-quinoxalin-2-ylethyl)-1,3-benzothiazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]quinoxaline;2-[(5-phenyl-3H-pyrrol-2-yl)methoxy]quinoxaline;N-[(5-phenyl-3H-pyrrol-2-yl)methyl]quinoxalin-2-amine;2-[(5-phenyl-3H-pyrrol-2-yl)oxymethyl]quinoxaline;2-[(5-phenyl-3H-pyrrol-2-yl)sulfanylmethyl]quinoxaline;2-(2-quinoxalin-2-ylethyl)-1,3-benzothiazole?
The IUPAC name of 2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]quinoxaline;2-[(5-phenyl-3H-pyrrol-2-yl)methoxy]quinoxaline;N-[(5-phenyl-3H-pyrrol-2-yl)methyl]quinoxalin-2-amine;2-[(5-phenyl-3H-pyrrol-2-yl)oxymethyl]quinoxaline;2-[(5-phenyl-3H-pyrrol-2-yl)sulfanylmethyl]quinoxaline;2-(2-quinoxalin-2-ylethyl)-1,3-benzothiazole (CID 158751305) is 2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]quinoxaline;2-[(5-phenyl-3H-pyrrol-2-yl)methoxy]quinoxaline;N-[(5-phenyl-3H-pyrrol-2-yl)methyl]quinoxalin-2-amine;2-[(5-phenyl-3H-pyrrol-2-yl)oxymethyl]quinoxaline;2-[(5-phenyl-3H-pyrrol-2-yl)sulfanylmethyl]quinoxaline;2-(2-quinoxalin-2-ylethyl)-1,3-benzothiazole.
What is the SMILES notation for 2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]quinoxaline;2-[(5-phenyl-3H-pyrrol-2-yl)methoxy]quinoxaline;N-[(5-phenyl-3H-pyrrol-2-yl)methyl]quinoxalin-2-amine;2-[(5-phenyl-3H-pyrrol-2-yl)oxymethyl]quinoxaline;2-[(5-phenyl-3H-pyrrol-2-yl)sulfanylmethyl]quinoxaline;2-(2-quinoxalin-2-ylethyl)-1,3-benzothiazole?
The canonical SMILES for 2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]quinoxaline;2-[(5-phenyl-3H-pyrrol-2-yl)methoxy]quinoxaline;N-[(5-phenyl-3H-pyrrol-2-yl)methyl]quinoxalin-2-amine;2-[(5-phenyl-3H-pyrrol-2-yl)oxymethyl]quinoxaline;2-[(5-phenyl-3H-pyrrol-2-yl)sulfanylmethyl]quinoxaline;2-(2-quinoxalin-2-ylethyl)-1,3-benzothiazole is C1=C(c2ccccc2)N=C(CNc2cnc3ccccc3n2)C1.C1=C(c2ccccc2)N=C(COc2cnc3ccccc3n2)C1.C1=C(c2ccccc2)N=C(OCc2cnc3ccccc3n2)C1.C1=C(c2ccccc2)N=C(SCc2cnc3ccccc3n2)C1.c1ccc(-c2cnc(Sc3cnc4ccccc4n3)[nH]2)cc1.c1ccc2nc(CCc3nc4ccccc4s3)cnc2c1.
What is the InChIKey of 2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]quinoxaline;2-[(5-phenyl-3H-pyrrol-2-yl)methoxy]quinoxaline;N-[(5-phenyl-3H-pyrrol-2-yl)methyl]quinoxalin-2-amine;2-[(5-phenyl-3H-pyrrol-2-yl)oxymethyl]quinoxaline;2-[(5-phenyl-3H-pyrrol-2-yl)sulfanylmethyl]quinoxaline;2-(2-quinoxalin-2-ylethyl)-1,3-benzothiazole?
The InChIKey is INNBHRCQSGXRJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4.2C19H15N3O.C19H15N3S.C17H12N4S.C17H13N3S/c1-2-6-14(7-3-1)16-11-10-15(22-16)12-21-19-13-20-17-8-4-5-9-18(17)23-19;1-2-6-14(7-3-1)16-10-11-19(22-16)23-13-15-12-20-17-8-4-5-9-18(17)21-15;1-2-6-14(7-3-1)16-11-10-15(21-16)13-23-19-12-20-17-8-4-5-9-18(17)22-19;1-2-6-14(7-3-1)16-10-11-19(22-16)23-13-15-12-20-17-8-4-5-9-18(17)21-15;1-2-6-12(7-3-1)15-10-19-17(21-15)22-16-11-18-13-8-4-5-9-14(13)20-16;1-2-6-14-13(5-1)18-11-12(19-14)9-10-17-20-15-7-3-4-8-16(15)21-17/h1-9,11,13H,10,12H2,(H,21,23);1-10,12H,11,13H2;1-9,11-12H,10,13H2;1-10,12H,11,13H2;1-11H,(H,19,21);1-8,11H,9-10H2.
What are the key properties of 2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]quinoxaline;2-[(5-phenyl-3H-pyrrol-2-yl)methoxy]quinoxaline;N-[(5-phenyl-3H-pyrrol-2-yl)methyl]quinoxalin-2-amine;2-[(5-phenyl-3H-pyrrol-2-yl)oxymethyl]quinoxaline;2-[(5-phenyl-3H-pyrrol-2-yl)sulfanylmethyl]quinoxaline;2-(2-quinoxalin-2-ylethyl)-1,3-benzothiazole?
2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]quinoxaline;2-[(5-phenyl-3H-pyrrol-2-yl)methoxy]quinoxaline;N-[(5-phenyl-3H-pyrrol-2-yl)methyl]quinoxalin-2-amine;2-[(5-phenyl-3H-pyrrol-2-yl)oxymethyl]quinoxaline;2-[(5-phenyl-3H-pyrrol-2-yl)sulfanylmethyl]quinoxaline;2-(2-quinoxalin-2-ylethyl)-1,3-benzothiazole has a molecular weight of 1816.24 g/mol, XLogP of 24.71, 20 rotatable bonds, 2 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]quinoxaline;2-[(5-phenyl-3H-pyrrol-2-yl)methoxy]quinoxaline;N-[(5-phenyl-3H-pyrrol-2-yl)methyl]quinoxalin-2-amine;2-[(5-phenyl-3H-pyrrol-2-yl)oxymethyl]quinoxaline;2-[(5-phenyl-3H-pyrrol-2-yl)sulfanylmethyl]quinoxaline;2-(2-quinoxalin-2-ylethyl)-1,3-benzothiazole is sourced from PubChem (CID 158751305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).