7-chloro-5-(1-methylindol-6-yl)quinoxaline;8-(1-methylindol-6-yl)-N-pyridin-3-yl-N-(pyridin-4-ylmethyl)quinoxalin-6-amine;8-(1-methylindol-6-yl)-N-pyridin-3-ylquinoxalin-6-amine

C67H51ClN14 — CID 157065463

IUPAC7-chloro-5-(1-methylindol-6-yl)quinoxaline;8-(1-methylindol-6-yl)-N-pyridin-3-yl-N-(pyridin-4-ylmethyl)quinoxalin-6-amine;8-(1-methylindol-6-yl)-N-pyridin-3-ylquinoxalin-6-amine
SMILESCn1ccc2ccc(-c3cc(Cl)cc4nccnc34)cc21.Cn1ccc2ccc(-c3cc(N(Cc4ccncc4)c4cccnc4)cc4nccnc34)cc21.Cn1ccc2ccc(-c3cc(Nc4cccnc4)cc4nccnc34)cc21
InChIInChI=1S/C28H22N6.C22H17N5.C17H12ClN3/c1-33-14-8-21-4-5-22(15-27(21)33)25-16-24(17-26-28(25)32-13-12-31-26)34(23-3-2-9-30-18-23)19-20-6-10-29-11-7-20;1-27-10-6-15-4-5-16(11-21(15)27)19-12-18(26-17-3-2-7-23-14-17)13-20-22(19)25-9-8-24-20;1-21-7-4-11-2-3-12(8-16(11)21)14-9-13(18)10-15-17(14)20-6-5-19-15/h2-18H,19H2,1H3;2-14,26H,1H3;2-10H,1H3
InChIKeyABVCLALGYUSJOV-UHFFFAOYSA-N
MW1087.70 g/mol
LogP15.29
Rot. Bonds9

About 7-chloro-5-(1-methylindol-6-yl)quinoxaline;8-(1-methylindol-6-yl)-N-pyridin-3-yl-N-(pyridin-4-ylmethyl)quinoxalin-6-amine;8-(1-methylindol-6-yl)-N-pyridin-3-ylquinoxalin-6-amine

7-chloro-5-(1-methylindol-6-yl)quinoxaline;8-(1-methylindol-6-yl)-N-pyridin-3-yl-N-(pyridin-4-ylmethyl)quinoxalin-6-amine;8-(1-methylindol-6-yl)-N-pyridin-3-ylquinoxalin-6-amine (PubChem CID 157065463) has the molecular formula C67H51ClN14 and a molecular weight of 1087.70 g/mol. Its IUPAC name is 7-chloro-5-(1-methylindol-6-yl)quinoxaline;8-(1-methylindol-6-yl)-N-pyridin-3-yl-N-(pyridin-4-ylmethyl)quinoxalin-6-amine;8-(1-methylindol-6-yl)-N-pyridin-3-ylquinoxalin-6-amine.

Molecular Properties

Compound Name7-chloro-5-(1-methylindol-6-yl)quinoxaline;8-(1-methylindol-6-yl)-N-pyridin-3-yl-N-(pyridin-4-ylmethyl)quinoxalin-6-amine;8-(1-methylindol-6-yl)-N-pyridin-3-ylquinoxalin-6-amine
PubChem CID157065463
Molecular FormulaC67H51ClN14
Molecular Weight1087.70 g/mol
Exact Mass1086.41
IUPAC Name7-chloro-5-(1-methylindol-6-yl)quinoxaline;8-(1-methylindol-6-yl)-N-pyridin-3-yl-N-(pyridin-4-ylmethyl)quinoxalin-6-amine;8-(1-methylindol-6-yl)-N-pyridin-3-ylquinoxalin-6-amine
SMILESCn1ccc2ccc(-c3cc(Cl)cc4nccnc34)cc21.Cn1ccc2ccc(-c3cc(N(Cc4ccncc4)c4cccnc4)cc4nccnc34)cc21.Cn1ccc2ccc(-c3cc(Nc4cccnc4)cc4nccnc34)cc21
InChIInChI=1S/C28H22N6.C22H17N5.C17H12ClN3/c1-33-14-8-21-4-5-22(15-27(21)33)25-16-24(17-26-28(25)32-13-12-31-26)34(23-3-2-9-30-18-23)19-20-6-10-29-11-7-20;1-27-10-6-15-4-5-16(11-21(15)27)19-12-18(26-17-3-2-7-23-14-17)13-20-22(19)25-9-8-24-20;1-21-7-4-11-2-3-12(8-16(11)21)14-9-13(18)10-15-17(14)20-6-5-19-15/h2-18H,19H2,1H3;2-14,26H,1H3;2-10H,1H3
InChIKeyABVCLALGYUSJOV-UHFFFAOYSA-N
XLogP15.29
TPSA146.07 Ų
H-Bond Donors1
H-Bond Acceptors14
Rotatable Bonds9
Heavy Atoms82
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001087.70
LogP ≤ 515.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

Analyze 7-chloro-5-(1-methylindol-6-yl)quinoxaline;8-(1-methylindol-6-yl)-N-pyridin-3-yl-N-(pyridin-4-ylmethyl)quinoxalin-6-amine;8-(1-methylindol-6-yl)-N-pyridin-3-ylquinoxalin-6-amine with MolForge

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Related Compounds

Delta-[ru(Bpy)2dppz]2+
CID 57336495
Bis(1,10-phenanthroline);quinoxalino[2,3-f][1,10]phenanthroline;ruthenium
CID 57339425
Bis(pyrazino[2,3-f]quinoxaline);quinoxalino[2,3-f][1,10]phenanthroline;ruthenium(2+)
CID 57261388
(Mu-11,11'-Bidipyrido[3,2-A:2',3'-C]phenazine-1kappa~2~n~4~,N~5~:2kappa~2~n~4'~,N~5'~)[tetrakis(1,10-Phenanthroline-Kappa~2~n~1~,N~10~)]diruthenium
CID 73010381
Ruthenium(II)(dipyrido-[3,2-a:2',3'-c]phenazine)(2,2'-bipyridine)2
CID 56962242
Tris(4,10-phenanthroline)rhodium(III), trichloride
CID 24202029
Tris(4,7-diphenyl-1,10-phenanthroline);iron(2+);chloride
CID 24202031
Bis(pyrazino[2,3-f]quinoxaline);quinoxalino[2,3-f][1,10]phenanthroline;ruthenium
CID 53389272
(11,12-Dimethyldipyrido[3,2-A:2',3'-C]phenazine-Kappa~2~n~4~,N~5~)[bis(Pyrazino[2,3-F]quinoxaline-Kappa~2~n~1~,N~10~)]ruthenium(2+)
CID 70789262
(11-chlorodipyrido[3,2-a:2',3'-c]phenazine-kappa~2~N~4~,N~5~)[bis(pyrazino[2,3-f]quinoxaline-kappa~2~N~1~,N~10~)]ruthenium(2+)
CID 71604334
(10-Methyldipyrido[3,2-A:2',3'-C]phenazine-Kappa~2~n~4~,N~5~)[bis(Pyrazino[2,3-F]quinoxaline-Kappa~2~n~1~,N~10~)]ruthenium(2+)
CID 78333414
(11,12-Difluorodipyrido[3,2-A:2',3'-C]phenazine-Kappa~2~n~4~,N~5~)[bis(Pyrazino[2,3-F]quinoxaline-Kappa~2~n~1~,N~10~)]ruthenium(2+)
CID 78350445

Frequently Asked Questions

What is the IUPAC name of 7-chloro-5-(1-methylindol-6-yl)quinoxaline;8-(1-methylindol-6-yl)-N-pyridin-3-yl-N-(pyridin-4-ylmethyl)quinoxalin-6-amine;8-(1-methylindol-6-yl)-N-pyridin-3-ylquinoxalin-6-amine?
The IUPAC name of 7-chloro-5-(1-methylindol-6-yl)quinoxaline;8-(1-methylindol-6-yl)-N-pyridin-3-yl-N-(pyridin-4-ylmethyl)quinoxalin-6-amine;8-(1-methylindol-6-yl)-N-pyridin-3-ylquinoxalin-6-amine (CID 157065463) is 7-chloro-5-(1-methylindol-6-yl)quinoxaline;8-(1-methylindol-6-yl)-N-pyridin-3-yl-N-(pyridin-4-ylmethyl)quinoxalin-6-amine;8-(1-methylindol-6-yl)-N-pyridin-3-ylquinoxalin-6-amine.
What is the SMILES notation for 7-chloro-5-(1-methylindol-6-yl)quinoxaline;8-(1-methylindol-6-yl)-N-pyridin-3-yl-N-(pyridin-4-ylmethyl)quinoxalin-6-amine;8-(1-methylindol-6-yl)-N-pyridin-3-ylquinoxalin-6-amine?
The canonical SMILES for 7-chloro-5-(1-methylindol-6-yl)quinoxaline;8-(1-methylindol-6-yl)-N-pyridin-3-yl-N-(pyridin-4-ylmethyl)quinoxalin-6-amine;8-(1-methylindol-6-yl)-N-pyridin-3-ylquinoxalin-6-amine is Cn1ccc2ccc(-c3cc(Cl)cc4nccnc34)cc21.Cn1ccc2ccc(-c3cc(N(Cc4ccncc4)c4cccnc4)cc4nccnc34)cc21.Cn1ccc2ccc(-c3cc(Nc4cccnc4)cc4nccnc34)cc21.
What is the InChIKey of 7-chloro-5-(1-methylindol-6-yl)quinoxaline;8-(1-methylindol-6-yl)-N-pyridin-3-yl-N-(pyridin-4-ylmethyl)quinoxalin-6-amine;8-(1-methylindol-6-yl)-N-pyridin-3-ylquinoxalin-6-amine?
The InChIKey is ABVCLALGYUSJOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22N6.C22H17N5.C17H12ClN3/c1-33-14-8-21-4-5-22(15-27(21)33)25-16-24(17-26-28(25)32-13-12-31-26)34(23-3-2-9-30-18-23)19-20-6-10-29-11-7-20;1-27-10-6-15-4-5-16(11-21(15)27)19-12-18(26-17-3-2-7-23-14-17)13-20-22(19)25-9-8-24-20;1-21-7-4-11-2-3-12(8-16(11)21)14-9-13(18)10-15-17(14)20-6-5-19-15/h2-18H,19H2,1H3;2-14,26H,1H3;2-10H,1H3.
What are the key properties of 7-chloro-5-(1-methylindol-6-yl)quinoxaline;8-(1-methylindol-6-yl)-N-pyridin-3-yl-N-(pyridin-4-ylmethyl)quinoxalin-6-amine;8-(1-methylindol-6-yl)-N-pyridin-3-ylquinoxalin-6-amine?
7-chloro-5-(1-methylindol-6-yl)quinoxaline;8-(1-methylindol-6-yl)-N-pyridin-3-yl-N-(pyridin-4-ylmethyl)quinoxalin-6-amine;8-(1-methylindol-6-yl)-N-pyridin-3-ylquinoxalin-6-amine has a molecular weight of 1087.70 g/mol, XLogP of 15.29, 9 rotatable bonds, 1 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-5-(1-methylindol-6-yl)quinoxaline;8-(1-methylindol-6-yl)-N-pyridin-3-yl-N-(pyridin-4-ylmethyl)quinoxalin-6-amine;8-(1-methylindol-6-yl)-N-pyridin-3-ylquinoxalin-6-amine is sourced from PubChem (CID 157065463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).