5-[3-(3-chloro-5-methylphenyl)butyl]quinoxaline;4-[3-(2-chlorophenyl)butyl]-1H-indole;5-[3-(2-chlorophenyl)butyl]quinoxaline;4-[4-(2-chlorophenyl)-3-methylpentyl]-1H-indole;5-[3-(2,5-dichlorophenyl)butyl]quinoxaline;5-[4-(2,4-dichlorophenyl)-3-methylpentyl]quinoxaline;5-[4-(2,5-dichlorophenyl)-3-methylpentyl]quinoxaline

C133H132Cl10N12 — CID 159027642

IUPAC5-[3-(3-chloro-5-methylphenyl)butyl]quinoxaline;4-[3-(2-chlorophenyl)butyl]-1H-indole;5-[3-(2-chlorophenyl)butyl]quinoxaline;4-[4-(2-chlorophenyl)-3-methylpentyl]-1H-indole;5-[3-(2,5-dichlorophenyl)butyl]quinoxaline;5-[4-(2,4-dichlorophenyl)-3-methylpentyl]quinoxaline;5-[4-(2,5-dichlorophenyl)-3-methylpentyl]quinoxaline
SMILESCC(CCc1cccc2[nH]ccc12)C(C)c1ccccc1Cl.CC(CCc1cccc2[nH]ccc12)c1ccccc1Cl.CC(CCc1cccc2nccnc12)C(C)c1cc(Cl)ccc1Cl.CC(CCc1cccc2nccnc12)C(C)c1ccc(Cl)cc1Cl.CC(CCc1cccc2nccnc12)c1cc(Cl)ccc1Cl.CC(CCc1cccc2nccnc12)c1ccccc1Cl.Cc1cc(Cl)cc(C(C)CCc2cccc3nccnc23)c1
InChIInChI=1S/2C20H20Cl2N2.C20H22ClN.C19H19ClN2.C18H16Cl2N2.C18H17ClN2.C18H18ClN/c1-13(14(2)17-12-16(21)8-9-18(17)22)6-7-15-4-3-5-19-20(15)24-11-10-23-19;1-13(14(2)17-9-8-16(21)12-18(17)22)6-7-15-4-3-5-19-20(15)24-11-10-23-19;1-14(15(2)17-7-3-4-8-19(17)21)10-11-16-6-5-9-20-18(16)12-13-22-20;1-13-10-16(12-17(20)11-13)14(2)6-7-15-4-3-5-18-19(15)22-9-8-21-18;1-12(15-11-14(19)7-8-16(15)20)5-6-13-3-2-4-17-18(13)22-10-9-21-17;1-13(15-6-2-3-7-16(15)19)9-10-14-5-4-8-17-18(14)21-12-11-20-17;1-13(15-6-2-3-7-17(15)19)9-10-14-5-4-8-18-16(14)11-12-20-18/h2*3-5,8-14H,6-7H2,1-2H3;3-9,12-15,22H,10-11H2,1-2H3;3-5,8-12,14H,6-7H2,1-2H3;2-4,7-12H,5-6H2,1H3;2-8,11-13H,9-10H2,1H3;2-8,11-13,20H,9-10H2,1H3
InChIKeyJULZPBIVJYIHHT-UHFFFAOYSA-N
MW2253.13 g/mol
LogP40.39
Rot. Bonds31

About 5-[3-(3-chloro-5-methylphenyl)butyl]quinoxaline;4-[3-(2-chlorophenyl)butyl]-1H-indole;5-[3-(2-chlorophenyl)butyl]quinoxaline;4-[4-(2-chlorophenyl)-3-methylpentyl]-1H-indole;5-[3-(2,5-dichlorophenyl)butyl]quinoxaline;5-[4-(2,4-dichlorophenyl)-3-methylpentyl]quinoxaline;5-[4-(2,5-dichlorophenyl)-3-methylpentyl]quinoxaline

5-[3-(3-chloro-5-methylphenyl)butyl]quinoxaline;4-[3-(2-chlorophenyl)butyl]-1H-indole;5-[3-(2-chlorophenyl)butyl]quinoxaline;4-[4-(2-chlorophenyl)-3-methylpentyl]-1H-indole;5-[3-(2,5-dichlorophenyl)butyl]quinoxaline;5-[4-(2,4-dichlorophenyl)-3-methylpentyl]quinoxaline;5-[4-(2,5-dichlorophenyl)-3-methylpentyl]quinoxaline (PubChem CID 159027642) has the molecular formula C133H132Cl10N12 and a molecular weight of 2253.13 g/mol. Its IUPAC name is 5-[3-(3-chloro-5-methylphenyl)butyl]quinoxaline;4-[3-(2-chlorophenyl)butyl]-1H-indole;5-[3-(2-chlorophenyl)butyl]quinoxaline;4-[4-(2-chlorophenyl)-3-methylpentyl]-1H-indole;5-[3-(2,5-dichlorophenyl)butyl]quinoxaline;5-[4-(2,4-dichlorophenyl)-3-methylpentyl]quinoxaline;5-[4-(2,5-dichlorophenyl)-3-methylpentyl]quinoxaline.

Molecular Properties

Compound Name5-[3-(3-chloro-5-methylphenyl)butyl]quinoxaline;4-[3-(2-chlorophenyl)butyl]-1H-indole;5-[3-(2-chlorophenyl)butyl]quinoxaline;4-[4-(2-chlorophenyl)-3-methylpentyl]-1H-indole;5-[3-(2,5-dichlorophenyl)butyl]quinoxaline;5-[4-(2,4-dichlorophenyl)-3-methylpentyl]quinoxaline;5-[4-(2,5-dichlorophenyl)-3-methylpentyl]quinoxaline
PubChem CID159027642
Molecular FormulaC133H132Cl10N12
Molecular Weight2253.13 g/mol
Exact Mass2246.76
IUPAC Name5-[3-(3-chloro-5-methylphenyl)butyl]quinoxaline;4-[3-(2-chlorophenyl)butyl]-1H-indole;5-[3-(2-chlorophenyl)butyl]quinoxaline;4-[4-(2-chlorophenyl)-3-methylpentyl]-1H-indole;5-[3-(2,5-dichlorophenyl)butyl]quinoxaline;5-[4-(2,4-dichlorophenyl)-3-methylpentyl]quinoxaline;5-[4-(2,5-dichlorophenyl)-3-methylpentyl]quinoxaline
SMILESCC(CCc1cccc2[nH]ccc12)C(C)c1ccccc1Cl.CC(CCc1cccc2[nH]ccc12)c1ccccc1Cl.CC(CCc1cccc2nccnc12)C(C)c1cc(Cl)ccc1Cl.CC(CCc1cccc2nccnc12)C(C)c1ccc(Cl)cc1Cl.CC(CCc1cccc2nccnc12)c1cc(Cl)ccc1Cl.CC(CCc1cccc2nccnc12)c1ccccc1Cl.Cc1cc(Cl)cc(C(C)CCc2cccc3nccnc23)c1
InChIInChI=1S/2C20H20Cl2N2.C20H22ClN.C19H19ClN2.C18H16Cl2N2.C18H17ClN2.C18H18ClN/c1-13(14(2)17-12-16(21)8-9-18(17)22)6-7-15-4-3-5-19-20(15)24-11-10-23-19;1-13(14(2)17-9-8-16(21)12-18(17)22)6-7-15-4-3-5-19-20(15)24-11-10-23-19;1-14(15(2)17-7-3-4-8-19(17)21)10-11-16-6-5-9-20-18(16)12-13-22-20;1-13-10-16(12-17(20)11-13)14(2)6-7-15-4-3-5-18-19(15)22-9-8-21-18;1-12(15-11-14(19)7-8-16(15)20)5-6-13-3-2-4-17-18(13)22-10-9-21-17;1-13(15-6-2-3-7-16(15)19)9-10-14-5-4-8-17-18(14)21-12-11-20-17;1-13(15-6-2-3-7-17(15)19)9-10-14-5-4-8-18-16(14)11-12-20-18/h2*3-5,8-14H,6-7H2,1-2H3;3-9,12-15,22H,10-11H2,1-2H3;3-5,8-12,14H,6-7H2,1-2H3;2-4,7-12H,5-6H2,1H3;2-8,11-13H,9-10H2,1H3;2-8,11-13,20H,9-10H2,1H3
InChIKeyJULZPBIVJYIHHT-UHFFFAOYSA-N
XLogP40.39
TPSA160.48 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds31
Heavy Atoms155
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002253.13
LogP ≤ 540.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 5-[3-(3-chloro-5-methylphenyl)butyl]quinoxaline;4-[3-(2-chlorophenyl)butyl]-1H-indole;5-[3-(2-chlorophenyl)butyl]quinoxaline;4-[4-(2-chlorophenyl)-3-methylpentyl]-1H-indole;5-[3-(2,5-dichlorophenyl)butyl]quinoxaline;5-[4-(2,4-dichlorophenyl)-3-methylpentyl]quinoxaline;5-[4-(2,5-dichlorophenyl)-3-methylpentyl]quinoxaline with MolForge

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Related Compounds

1-chloro-3-fluoro-2-propan-2-ylbenzene;1,3-dichloro-2-propan-2-ylbenzene;N-(2,2-difluoropropyl)-4-methyl-5-propan-2-ylpyridin-3-amine;2,4-dimethyl-5-propan-2-ylpyridin-3-amine;N,4-dimethyl-5-propan-2-ylpyridin-3-amine;4-ethyl-2-methyl-1-propan-2-ylbenzene;1-(3-fluoro-5-methyl-4-propan-2-ylphenyl)-N-methylmethanamine;1-(4-fluoro-2-methyl-3-propan-2-ylphenyl)-N-methylmethanamine;1-(4-fluoro-2-methyl-5-propan-2-ylphenyl)-N-methylmethanamine;N-methyl-1-(2-methyl-3-propan-2-ylphenyl)methanamine;2-methyl-3-propan-2-ylaniline;1-methyl-2-propan-2-ylbenzene;(2-methyl-3-propan-2-ylphenyl)methanamine;4-methyl-5-propan-2-yl-N-prop-1-en-2-ylpyridin-3-amine;2-methyl-3-propan-2-yl-1H-pyrrole;2-methyl-5-propan-2-yl-4-(trifluoromethyl)pyridin-3-amine
CID 157214505
4-[2-Chloro-5-(1,10-phenanthrolin-3-yl)phenyl]-10-(2-chlorophenyl)-6,12-diphenyl-5,11-dihydroindolo[3,2-b]carbazole
CID 138506877
4-[2-Chloro-5-(1,10-phenanthrolin-3-yl)phenyl]-10-(2-chlorophenyl)-6,12-diphenyl-5,6,11,12-tetrahydroindolo[3,2-b]carbazole
CID 138745978
9,22-bis(1,10-phenanthrolin-5-yl)-5,26-diazaheptacyclo[15.11.0.02,14.04,12.06,11.019,27.020,25]octacosa-1(28),2,4(12),6(11),7,9,13,17,19(27),20(25),21,23-dodecaene;(1Z,3Z)-penta-1,3-dien-1-amine;(2Z)-penta-2,4-dien-1-imine
CID 145604646
3-(5-Chloronaphthalen-2-yl)phenanthro[9,10-b]pyrazine;3-(6-chloronaphthalen-1-yl)phenanthro[9,10-b]pyrazine;3-(6-chloronaphthalen-2-yl)phenanthro[9,10-b]pyrazine;3-(7-chloronaphthalen-2-yl)phenanthro[9,10-b]pyrazine
CID 157068729
2-[1-[(4-chlorophenyl)methyl]-2,3-dimethylpyrrolo[3,2-b]pyridin-7-yl]-3,4-dihydro-1H-isoquinoline;2-(2,3-dimethyl-1H-pyrrolo[3,2-b]pyridin-7-yl)-3,4-dihydro-1H-isoquinoline;hydrochloride
CID 157638003
3-tert-butyl-4-chloro-1H-indene;3-tert-butyl-5-chloro-1H-indene;3-tert-butyl-6-chloro-1H-indole;3-tert-butyl-4-fluoro-1H-indene;3-tert-butyl-5-fluoro-1H-indene;3-tert-butyl-6-fluoro-1H-indene;1-tert-butyl-2-fluoronaphthalene;1-tert-butyl-3-fluoronaphthalene;3-tert-butyl-4-methyl-1H-indene;3-tert-butyl-5-methyl-1H-indene;3-tert-butyl-6-methyl-1H-indene;bis(3-tert-butyl-7-methyl-1H-indole);1-tert-butyl-2-methylnaphthalene;1-tert-butyl-3-methylnaphthalene;4-tert-butyl-5-methylquinoline;4-tert-butyl-6-methylquinoline;4-tert-butyl-7-methylquinoline;4-tert-butyl-8-methylquinoline;4-tert-butylquinoline
CID 158607490
1-Tert-butyl-3-(3-chlorophenyl)-2-fluorobenzene;2-tert-butyl-6-(2-chlorophenyl)pyridine;2-tert-butyl-6-cyclopropylpyridine;2-tert-butyl-6-(2,4-difluoro-6-methylphenyl)pyridine;3-tert-butyl-1,1-dimethylcyclohexane;2-tert-butyl-3-fluoro-6-methylpyridine;1-(3-tert-butyl-2-fluorophenyl)-2-chloro-4,5-difluorobenzene;bis(2-tert-butyl-6-methylpyridine);3-tert-butyl-5-methylpyridine;2-tert-butyl-1,3,4,9-tetrahydropyrido[3,4-b]indole;1-chloro-3,5-difluoro-2-(3-propan-2-ylphenyl)benzene;3-fluoro-2,4,4-trimethylpent-2-ene
CID 159670791
4-chloro-2-(3,5-difluoro-4-pyridinyl)aniline;6-chloro-4-fluoro-9H-pyrido[3,4-b]indol-8-amine;6-chloro-4-fluoro-9H-pyrido[3,4-b]indole;4-chloro-2-iodoaniline;3,5-difluoropyridine;tributyl-(3,5-difluoro-4-pyridinyl)stannane
CID 159902094
2-(1-butylindol-3-yl)quinoline;3-(3-chlorophenyl)-1-[(4-chlorophenyl)methyl]quinolin-1-ium;1-[(4-chlorophenyl)methyl]quinolin-1-ium;2-(1H-indol-3-yl)quinoline;dibromide
CID 160065366
3-(5-Chloronaphthalen-1-yl)phenanthro[9,10-b]pyrazine;3-(3-chlorophenyl)phenanthro[9,10-b]pyrazine;3-(4-chlorophenyl)phenanthro[9,10-b]pyrazine;3-(3,5-dichlorophenyl)phenanthro[9,10-b]pyrazine
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5-bromo-8-[4-(2-chlorophenyl)pentyl]quinoline;5-[3-(3-chloro-5-methylphenyl)butyl]quinoxaline;4-[3-(2-chlorophenyl)butyl]-1H-indole;5-[3-(2-chlorophenyl)butyl]quinoxaline;8-[5-(2-chlorophenyl)hexyl]quinoline;4-[4-(2-chlorophenyl)-3-methylpentyl]-1H-indole;5-(2-chlorophenyl)-1-quinolin-8-ylhexan-2-one;5-[3-(2,5-dichlorophenyl)butyl]quinoxaline;5-[4-(2,5-dichlorophenyl)-3-methylpentyl]quinoxaline
CID 160647539

Frequently Asked Questions

What is the IUPAC name of 5-[3-(3-chloro-5-methylphenyl)butyl]quinoxaline;4-[3-(2-chlorophenyl)butyl]-1H-indole;5-[3-(2-chlorophenyl)butyl]quinoxaline;4-[4-(2-chlorophenyl)-3-methylpentyl]-1H-indole;5-[3-(2,5-dichlorophenyl)butyl]quinoxaline;5-[4-(2,4-dichlorophenyl)-3-methylpentyl]quinoxaline;5-[4-(2,5-dichlorophenyl)-3-methylpentyl]quinoxaline?
The IUPAC name of 5-[3-(3-chloro-5-methylphenyl)butyl]quinoxaline;4-[3-(2-chlorophenyl)butyl]-1H-indole;5-[3-(2-chlorophenyl)butyl]quinoxaline;4-[4-(2-chlorophenyl)-3-methylpentyl]-1H-indole;5-[3-(2,5-dichlorophenyl)butyl]quinoxaline;5-[4-(2,4-dichlorophenyl)-3-methylpentyl]quinoxaline;5-[4-(2,5-dichlorophenyl)-3-methylpentyl]quinoxaline (CID 159027642) is 5-[3-(3-chloro-5-methylphenyl)butyl]quinoxaline;4-[3-(2-chlorophenyl)butyl]-1H-indole;5-[3-(2-chlorophenyl)butyl]quinoxaline;4-[4-(2-chlorophenyl)-3-methylpentyl]-1H-indole;5-[3-(2,5-dichlorophenyl)butyl]quinoxaline;5-[4-(2,4-dichlorophenyl)-3-methylpentyl]quinoxaline;5-[4-(2,5-dichlorophenyl)-3-methylpentyl]quinoxaline.
What is the SMILES notation for 5-[3-(3-chloro-5-methylphenyl)butyl]quinoxaline;4-[3-(2-chlorophenyl)butyl]-1H-indole;5-[3-(2-chlorophenyl)butyl]quinoxaline;4-[4-(2-chlorophenyl)-3-methylpentyl]-1H-indole;5-[3-(2,5-dichlorophenyl)butyl]quinoxaline;5-[4-(2,4-dichlorophenyl)-3-methylpentyl]quinoxaline;5-[4-(2,5-dichlorophenyl)-3-methylpentyl]quinoxaline?
The canonical SMILES for 5-[3-(3-chloro-5-methylphenyl)butyl]quinoxaline;4-[3-(2-chlorophenyl)butyl]-1H-indole;5-[3-(2-chlorophenyl)butyl]quinoxaline;4-[4-(2-chlorophenyl)-3-methylpentyl]-1H-indole;5-[3-(2,5-dichlorophenyl)butyl]quinoxaline;5-[4-(2,4-dichlorophenyl)-3-methylpentyl]quinoxaline;5-[4-(2,5-dichlorophenyl)-3-methylpentyl]quinoxaline is CC(CCc1cccc2[nH]ccc12)C(C)c1ccccc1Cl.CC(CCc1cccc2[nH]ccc12)c1ccccc1Cl.CC(CCc1cccc2nccnc12)C(C)c1cc(Cl)ccc1Cl.CC(CCc1cccc2nccnc12)C(C)c1ccc(Cl)cc1Cl.CC(CCc1cccc2nccnc12)c1cc(Cl)ccc1Cl.CC(CCc1cccc2nccnc12)c1ccccc1Cl.Cc1cc(Cl)cc(C(C)CCc2cccc3nccnc23)c1.
What is the InChIKey of 5-[3-(3-chloro-5-methylphenyl)butyl]quinoxaline;4-[3-(2-chlorophenyl)butyl]-1H-indole;5-[3-(2-chlorophenyl)butyl]quinoxaline;4-[4-(2-chlorophenyl)-3-methylpentyl]-1H-indole;5-[3-(2,5-dichlorophenyl)butyl]quinoxaline;5-[4-(2,4-dichlorophenyl)-3-methylpentyl]quinoxaline;5-[4-(2,5-dichlorophenyl)-3-methylpentyl]quinoxaline?
The InChIKey is JULZPBIVJYIHHT-UHFFFAOYSA-N. The full InChI is InChI=1S/2C20H20Cl2N2.C20H22ClN.C19H19ClN2.C18H16Cl2N2.C18H17ClN2.C18H18ClN/c1-13(14(2)17-12-16(21)8-9-18(17)22)6-7-15-4-3-5-19-20(15)24-11-10-23-19;1-13(14(2)17-9-8-16(21)12-18(17)22)6-7-15-4-3-5-19-20(15)24-11-10-23-19;1-14(15(2)17-7-3-4-8-19(17)21)10-11-16-6-5-9-20-18(16)12-13-22-20;1-13-10-16(12-17(20)11-13)14(2)6-7-15-4-3-5-18-19(15)22-9-8-21-18;1-12(15-11-14(19)7-8-16(15)20)5-6-13-3-2-4-17-18(13)22-10-9-21-17;1-13(15-6-2-3-7-16(15)19)9-10-14-5-4-8-17-18(14)21-12-11-20-17;1-13(15-6-2-3-7-17(15)19)9-10-14-5-4-8-18-16(14)11-12-20-18/h2*3-5,8-14H,6-7H2,1-2H3;3-9,12-15,22H,10-11H2,1-2H3;3-5,8-12,14H,6-7H2,1-2H3;2-4,7-12H,5-6H2,1H3;2-8,11-13H,9-10H2,1H3;2-8,11-13,20H,9-10H2,1H3.
What are the key properties of 5-[3-(3-chloro-5-methylphenyl)butyl]quinoxaline;4-[3-(2-chlorophenyl)butyl]-1H-indole;5-[3-(2-chlorophenyl)butyl]quinoxaline;4-[4-(2-chlorophenyl)-3-methylpentyl]-1H-indole;5-[3-(2,5-dichlorophenyl)butyl]quinoxaline;5-[4-(2,4-dichlorophenyl)-3-methylpentyl]quinoxaline;5-[4-(2,5-dichlorophenyl)-3-methylpentyl]quinoxaline?
5-[3-(3-chloro-5-methylphenyl)butyl]quinoxaline;4-[3-(2-chlorophenyl)butyl]-1H-indole;5-[3-(2-chlorophenyl)butyl]quinoxaline;4-[4-(2-chlorophenyl)-3-methylpentyl]-1H-indole;5-[3-(2,5-dichlorophenyl)butyl]quinoxaline;5-[4-(2,4-dichlorophenyl)-3-methylpentyl]quinoxaline;5-[4-(2,5-dichlorophenyl)-3-methylpentyl]quinoxaline has a molecular weight of 2253.13 g/mol, XLogP of 40.39, 31 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(3-chloro-5-methylphenyl)butyl]quinoxaline;4-[3-(2-chlorophenyl)butyl]-1H-indole;5-[3-(2-chlorophenyl)butyl]quinoxaline;4-[4-(2-chlorophenyl)-3-methylpentyl]-1H-indole;5-[3-(2,5-dichlorophenyl)butyl]quinoxaline;5-[4-(2,4-dichlorophenyl)-3-methylpentyl]quinoxaline;5-[4-(2,5-dichlorophenyl)-3-methylpentyl]quinoxaline is sourced from PubChem (CID 159027642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).