3-bromoprop-1-yne;methane;bis(2-(8-methoxy-7-methylquinolin-5-yl)-N,N-dimethylethanamine);N-[2-(8-methoxy-7-methylquinolin-5-yl)ethyl]-N-methylprop-2-yn-1-amine;2-(8-methoxy-7-methylquinolin-5-yl)-N-methylethanamine;7-methyl-5-[2-[methyl(prop-2-ynyl)amino]ethyl]quinolin-8-ol;tribromoborane

C81H103BBr4N10O5 — CID 157365213

IUPAC3-bromoprop-1-yne;methane;bis(2-(8-methoxy-7-methylquinolin-5-yl)-N,N-dimethylethanamine);N-[2-(8-methoxy-7-methylquinolin-5-yl)ethyl]-N-methylprop-2-yn-1-amine;2-(8-methoxy-7-methylquinolin-5-yl)-N-methylethanamine;7-methyl-5-[2-[methyl(prop-2-ynyl)amino]ethyl]quinolin-8-ol;tribromoborane
SMILESBrB(Br)Br.C.C#CCBr.C#CCN(C)CCc1cc(C)c(O)c2ncccc12.C#CCN(C)CCc1cc(C)c(OC)c2ncccc12.CNCCc1cc(C)c(OC)c2ncccc12.COc1c(C)cc(CCN(C)C)c2cccnc12.COc1c(C)cc(CCN(C)C)c2cccnc12
InChIInChI=1S/C17H20N2O.C16H18N2O.2C15H20N2O.C14H18N2O.C3H3Br.CH4.BBr3/c1-5-10-19(3)11-8-14-12-13(2)17(20-4)16-15(14)7-6-9-18-16;1-4-9-18(3)10-7-13-11-12(2)16(19)15-14(13)6-5-8-17-15;2*1-11-10-12(7-9-17(2)3)13-6-5-8-16-14(13)15(11)18-4;1-10-9-11(6-8-15-2)12-5-4-7-16-13(12)14(10)17-3;1-2-3-4;;2-1(3)4/h1,6-7,9,12H,8,10-11H2,2-4H3;1,5-6,8,11,19H,7,9-10H2,2-3H3;2*5-6,8,10H,7,9H2,1-4H3;4-5,7,9,15H,6,8H2,1-3H3;1H,3H2;1H4;
InChIKeyBJCFJOKZCOFPRN-UHFFFAOYSA-N
MW1627.21 g/mol
LogP16.45
Rot. Bonds21

About 3-bromoprop-1-yne;methane;bis(2-(8-methoxy-7-methylquinolin-5-yl)-N,N-dimethylethanamine);N-[2-(8-methoxy-7-methylquinolin-5-yl)ethyl]-N-methylprop-2-yn-1-amine;2-(8-methoxy-7-methylquinolin-5-yl)-N-methylethanamine;7-methyl-5-[2-[methyl(prop-2-ynyl)amino]ethyl]quinolin-8-ol;tribromoborane

3-bromoprop-1-yne;methane;bis(2-(8-methoxy-7-methylquinolin-5-yl)-N,N-dimethylethanamine);N-[2-(8-methoxy-7-methylquinolin-5-yl)ethyl]-N-methylprop-2-yn-1-amine;2-(8-methoxy-7-methylquinolin-5-yl)-N-methylethanamine;7-methyl-5-[2-[methyl(prop-2-ynyl)amino]ethyl]quinolin-8-ol;tribromoborane (PubChem CID 157365213) has the molecular formula C81H103BBr4N10O5 and a molecular weight of 1627.21 g/mol. Its IUPAC name is 3-bromoprop-1-yne;methane;bis(2-(8-methoxy-7-methylquinolin-5-yl)-N,N-dimethylethanamine);N-[2-(8-methoxy-7-methylquinolin-5-yl)ethyl]-N-methylprop-2-yn-1-amine;2-(8-methoxy-7-methylquinolin-5-yl)-N-methylethanamine;7-methyl-5-[2-[methyl(prop-2-ynyl)amino]ethyl]quinolin-8-ol;tribromoborane.

Molecular Properties

Compound Name3-bromoprop-1-yne;methane;bis(2-(8-methoxy-7-methylquinolin-5-yl)-N,N-dimethylethanamine);N-[2-(8-methoxy-7-methylquinolin-5-yl)ethyl]-N-methylprop-2-yn-1-amine;2-(8-methoxy-7-methylquinolin-5-yl)-N-methylethanamine;7-methyl-5-[2-[methyl(prop-2-ynyl)amino]ethyl]quinolin-8-ol;tribromoborane
PubChem CID157365213
Molecular FormulaC81H103BBr4N10O5
Molecular Weight1627.21 g/mol
Exact Mass1622.49
IUPAC Name3-bromoprop-1-yne;methane;bis(2-(8-methoxy-7-methylquinolin-5-yl)-N,N-dimethylethanamine);N-[2-(8-methoxy-7-methylquinolin-5-yl)ethyl]-N-methylprop-2-yn-1-amine;2-(8-methoxy-7-methylquinolin-5-yl)-N-methylethanamine;7-methyl-5-[2-[methyl(prop-2-ynyl)amino]ethyl]quinolin-8-ol;tribromoborane
SMILESBrB(Br)Br.C.C#CCBr.C#CCN(C)CCc1cc(C)c(O)c2ncccc12.C#CCN(C)CCc1cc(C)c(OC)c2ncccc12.CNCCc1cc(C)c(OC)c2ncccc12.COc1c(C)cc(CCN(C)C)c2cccnc12.COc1c(C)cc(CCN(C)C)c2cccnc12
InChIInChI=1S/C17H20N2O.C16H18N2O.2C15H20N2O.C14H18N2O.C3H3Br.CH4.BBr3/c1-5-10-19(3)11-8-14-12-13(2)17(20-4)16-15(14)7-6-9-18-16;1-4-9-18(3)10-7-13-11-12(2)16(19)15-14(13)6-5-8-17-15;2*1-11-10-12(7-9-17(2)3)13-6-5-8-16-14(13)15(11)18-4;1-10-9-11(6-8-15-2)12-5-4-7-16-13(12)14(10)17-3;1-2-3-4;;2-1(3)4/h1,6-7,9,12H,8,10-11H2,2-4H3;1,5-6,8,11,19H,7,9-10H2,2-3H3;2*5-6,8,10H,7,9H2,1-4H3;4-5,7,9,15H,6,8H2,1-3H3;1H,3H2;1H4;
InChIKeyBJCFJOKZCOFPRN-UHFFFAOYSA-N
XLogP16.45
TPSA146.59 Ų
H-Bond Donors2
H-Bond Acceptors15
Rotatable Bonds21
Heavy Atoms101
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001627.21
LogP ≤ 516.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 3-bromoprop-1-yne;methane;bis(2-(8-methoxy-7-methylquinolin-5-yl)-N,N-dimethylethanamine);N-[2-(8-methoxy-7-methylquinolin-5-yl)ethyl]-N-methylprop-2-yn-1-amine;2-(8-methoxy-7-methylquinolin-5-yl)-N-methylethanamine;7-methyl-5-[2-[methyl(prop-2-ynyl)amino]ethyl]quinolin-8-ol;tribromoborane with MolForge

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Related Compounds

7-[[[4-[2,5-Difluoro-3-[(8-hydroxyquinolin-7-yl)-(pyridin-2-ylamino)methyl]phenyl]-3-methyl-2-pyridinyl]amino]-phenylmethyl]-5-[4-[(8-hydroxyquinolin-7-yl)-[(6-methoxy-2-pyridinyl)amino]methyl]phenyl]quinolin-8-ol
CID 146475074
2-[(E)-2-(2-bromo-3-pyridinyl)ethenyl]-5,7-dimethylquinolin-8-ol;2-[(E)-2-(6-bromo-3-pyridinyl)ethenyl]-5,7-dimethylquinolin-8-ol;2-[(E)-2-(2-chloro-3-pyridinyl)ethenyl]-5,7-dimethylquinolin-8-ol;5,7-dimethyl-2-[(E)-2-pyridin-3-ylethenyl]quinolin-8-ol;5,7-dimethyl-2-[(E)-2-[6-(trifluoromethyl)-3-pyridinyl]ethenyl]quinolin-8-ol;2-[(E)-2-(6-methoxy-3-pyridinyl)ethenyl]-5,7-dimethylquinolin-8-ol
CID 158920326
2-[(E)-2-(2-bromo-3-pyridinyl)ethenyl]-5,7-dimethylquinolin-8-ol;5,7-dimethyl-2-[(E)-2-(2-propan-2-yloxy-3-pyridinyl)ethenyl]quinolin-8-ol;5,7-dimethyl-2-[(E)-2-(2-propoxy-3-pyridinyl)ethenyl]quinolin-8-ol;2,4-dimethyl-7-[(E)-2-[6-(trifluoromethyl)-3-pyridinyl]ethenyl]naphthalen-1-ol;2-[(E)-2-(6-fluoro-3-pyridinyl)ethenyl]-5,7-dimethylquinolin-8-ol;2-[(E)-2-(2-methoxy-3-pyridinyl)ethenyl]-5,7-dimethylquinolin-8-ol
CID 159701735
3-bromoprop-1-yne;deuterioethane;methane;bis(2-(8-methoxy-7-methylquinolin-5-yl)-N,N-dimethylethanamine);N-[2-(8-methoxy-7-methylquinolin-5-yl)ethyl]-N-methylprop-2-yn-1-amine;2-(8-methoxy-7-methylquinolin-5-yl)-N-methylethanamine;7-methyl-5-[2-[methyl(prop-2-ynyl)amino]ethyl]quinolin-8-ol;tribromoborane;2,2,2-trifluoroacetaldehyde
CID 161567196
5-[[8-Hydroxy-7-[(4-morpholin-4-ylpiperidin-1-yl)methyl]quinolin-5-yl]methyl]-7-[(4-morpholin-4-ylpiperidin-1-yl)methyl]quinolin-8-ol
CID 155815081
8-(Methoxymethoxy)-2-methyl-5,7-dipyridin-4-ylquinoline
CID 139164454
5-[(E)-2-[8-hydroxy-7-(morpholin-4-ylmethyl)quinolin-5-yl]ethenyl]-7-(morpholin-4-ylmethyl)quinolin-8-ol
CID 155811645
8-Phenylmethoxy-7-prop-2-enylquinoline;8-prop-2-enoxyquinoline;7-prop-2-enylquinolin-8-ol;quinolin-8-ol
CID 68977609
5-[4-[(8-Hydroxyquinolin-7-yl)-[(6-methoxy-2-pyridinyl)amino]methyl]phenyl]-7-[[(3-methyl-2-pyridinyl)amino]-phenylmethyl]quinolin-8-ol
CID 146475009
8-Methoxy-3,5,7-tris(3-pyridin-3-ylphenyl)quinoline
CID 146923673
Benzo[f]quinolin-5-ol;benzo[g]quinolin-10-ol;10-methylbenzo[h]quinoline;2-methylquinolin-8-ol;5-methylquinolin-8-ol;phenanthridin-4-ol;5-phenylquinolin-8-ol;quinolin-8-ol
CID 157223555
2-[(E)-2-(2-amino-3-pyridinyl)ethenyl]-5,7-dimethylquinolin-8-ol;2-[(E)-2-(2-chloro-3-pyridinyl)ethenyl]-5,7-dimethylquinolin-8-ol;5,7-dimethyl-2-[(E)-2-(6-methyl-3-pyridinyl)ethenyl]quinolin-8-ol;5,7-dimethyl-2-[(E)-2-pyridin-3-ylethenyl]quinolin-8-ol;2-[(E)-2-(6-methoxy-3-pyridinyl)ethenyl]-5,7-dimethylquinolin-8-ol
CID 157378241

Frequently Asked Questions

What is the IUPAC name of 3-bromoprop-1-yne;methane;bis(2-(8-methoxy-7-methylquinolin-5-yl)-N,N-dimethylethanamine);N-[2-(8-methoxy-7-methylquinolin-5-yl)ethyl]-N-methylprop-2-yn-1-amine;2-(8-methoxy-7-methylquinolin-5-yl)-N-methylethanamine;7-methyl-5-[2-[methyl(prop-2-ynyl)amino]ethyl]quinolin-8-ol;tribromoborane?
The IUPAC name of 3-bromoprop-1-yne;methane;bis(2-(8-methoxy-7-methylquinolin-5-yl)-N,N-dimethylethanamine);N-[2-(8-methoxy-7-methylquinolin-5-yl)ethyl]-N-methylprop-2-yn-1-amine;2-(8-methoxy-7-methylquinolin-5-yl)-N-methylethanamine;7-methyl-5-[2-[methyl(prop-2-ynyl)amino]ethyl]quinolin-8-ol;tribromoborane (CID 157365213) is 3-bromoprop-1-yne;methane;bis(2-(8-methoxy-7-methylquinolin-5-yl)-N,N-dimethylethanamine);N-[2-(8-methoxy-7-methylquinolin-5-yl)ethyl]-N-methylprop-2-yn-1-amine;2-(8-methoxy-7-methylquinolin-5-yl)-N-methylethanamine;7-methyl-5-[2-[methyl(prop-2-ynyl)amino]ethyl]quinolin-8-ol;tribromoborane.
What is the SMILES notation for 3-bromoprop-1-yne;methane;bis(2-(8-methoxy-7-methylquinolin-5-yl)-N,N-dimethylethanamine);N-[2-(8-methoxy-7-methylquinolin-5-yl)ethyl]-N-methylprop-2-yn-1-amine;2-(8-methoxy-7-methylquinolin-5-yl)-N-methylethanamine;7-methyl-5-[2-[methyl(prop-2-ynyl)amino]ethyl]quinolin-8-ol;tribromoborane?
The canonical SMILES for 3-bromoprop-1-yne;methane;bis(2-(8-methoxy-7-methylquinolin-5-yl)-N,N-dimethylethanamine);N-[2-(8-methoxy-7-methylquinolin-5-yl)ethyl]-N-methylprop-2-yn-1-amine;2-(8-methoxy-7-methylquinolin-5-yl)-N-methylethanamine;7-methyl-5-[2-[methyl(prop-2-ynyl)amino]ethyl]quinolin-8-ol;tribromoborane is BrB(Br)Br.C.C#CCBr.C#CCN(C)CCc1cc(C)c(O)c2ncccc12.C#CCN(C)CCc1cc(C)c(OC)c2ncccc12.CNCCc1cc(C)c(OC)c2ncccc12.COc1c(C)cc(CCN(C)C)c2cccnc12.COc1c(C)cc(CCN(C)C)c2cccnc12.
What is the InChIKey of 3-bromoprop-1-yne;methane;bis(2-(8-methoxy-7-methylquinolin-5-yl)-N,N-dimethylethanamine);N-[2-(8-methoxy-7-methylquinolin-5-yl)ethyl]-N-methylprop-2-yn-1-amine;2-(8-methoxy-7-methylquinolin-5-yl)-N-methylethanamine;7-methyl-5-[2-[methyl(prop-2-ynyl)amino]ethyl]quinolin-8-ol;tribromoborane?
The InChIKey is BJCFJOKZCOFPRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O.C16H18N2O.2C15H20N2O.C14H18N2O.C3H3Br.CH4.BBr3/c1-5-10-19(3)11-8-14-12-13(2)17(20-4)16-15(14)7-6-9-18-16;1-4-9-18(3)10-7-13-11-12(2)16(19)15-14(13)6-5-8-17-15;2*1-11-10-12(7-9-17(2)3)13-6-5-8-16-14(13)15(11)18-4;1-10-9-11(6-8-15-2)12-5-4-7-16-13(12)14(10)17-3;1-2-3-4;;2-1(3)4/h1,6-7,9,12H,8,10-11H2,2-4H3;1,5-6,8,11,19H,7,9-10H2,2-3H3;2*5-6,8,10H,7,9H2,1-4H3;4-5,7,9,15H,6,8H2,1-3H3;1H,3H2;1H4;.
What are the key properties of 3-bromoprop-1-yne;methane;bis(2-(8-methoxy-7-methylquinolin-5-yl)-N,N-dimethylethanamine);N-[2-(8-methoxy-7-methylquinolin-5-yl)ethyl]-N-methylprop-2-yn-1-amine;2-(8-methoxy-7-methylquinolin-5-yl)-N-methylethanamine;7-methyl-5-[2-[methyl(prop-2-ynyl)amino]ethyl]quinolin-8-ol;tribromoborane?
3-bromoprop-1-yne;methane;bis(2-(8-methoxy-7-methylquinolin-5-yl)-N,N-dimethylethanamine);N-[2-(8-methoxy-7-methylquinolin-5-yl)ethyl]-N-methylprop-2-yn-1-amine;2-(8-methoxy-7-methylquinolin-5-yl)-N-methylethanamine;7-methyl-5-[2-[methyl(prop-2-ynyl)amino]ethyl]quinolin-8-ol;tribromoborane has a molecular weight of 1627.21 g/mol, XLogP of 16.45, 21 rotatable bonds, 2 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromoprop-1-yne;methane;bis(2-(8-methoxy-7-methylquinolin-5-yl)-N,N-dimethylethanamine);N-[2-(8-methoxy-7-methylquinolin-5-yl)ethyl]-N-methylprop-2-yn-1-amine;2-(8-methoxy-7-methylquinolin-5-yl)-N-methylethanamine;7-methyl-5-[2-[methyl(prop-2-ynyl)amino]ethyl]quinolin-8-ol;tribromoborane is sourced from PubChem (CID 157365213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).