1-[3-benzyl-6-bromo-2-(dimethylamino)quinolin-8-yl]-3-(dimethylamino)-1-naphthalen-1-ylpropan-1-ol;1-(3-benzyl-6-bromo-2-imidazol-1-ylquinolin-8-yl)-3-(dimethylamino)-1-phenylpropan-1-ol;1-(3-benzyl-6-bromo-2-pyrrolidin-1-ylquinolin-7-yl)-3-(dimethylamino)-1-phenylpropan-1-ol;1-[6-bromo-3-phenyl-2-(1,2,4-triazol-1-yl)quinolin-8-yl]-3-(dimethylamino)-1-naphthalen-1-ylpropan-1-ol

C126H125Br4N15O4 — CID 161466985

IUPAC1-[3-benzyl-6-bromo-2-(dimethylamino)quinolin-8-yl]-3-(dimethylamino)-1-naphthalen-1-ylpropan-1-ol;1-(3-benzyl-6-bromo-2-imidazol-1-ylquinolin-8-yl)-3-(dimethylamino)-1-phenylpropan-1-ol;1-(3-benzyl-6-bromo-2-pyrrolidin-1-ylquinolin-7-yl)-3-(dimethylamino)-1-phenylpropan-1-ol;1-[6-bromo-3-phenyl-2-(1,2,4-triazol-1-yl)quinolin-8-yl]-3-(dimethylamino)-1-naphthalen-1-ylpropan-1-ol
SMILESCN(C)CCC(O)(c1cccc2ccccc12)c1cc(Br)cc2cc(-c3ccccc3)c(-n3cncn3)nc12.CN(C)CCC(O)(c1cccc2ccccc12)c1cc(Br)cc2cc(Cc3ccccc3)c(N(C)C)nc12.CN(C)CCC(O)(c1ccccc1)c1cc(Br)cc2cc(Cc3ccccc3)c(-n3ccnc3)nc12.CN(C)CCC(O)(c1ccccc1)c1cc2nc(N3CCCC3)c(Cc3ccccc3)cc2cc1Br
InChIInChI=1S/C33H34BrN3O.C32H28BrN5O.C31H34BrN3O.C30H29BrN4O/c1-36(2)18-17-33(38,29-16-10-14-24-13-8-9-15-28(24)29)30-22-27(34)21-25-20-26(19-23-11-6-5-7-12-23)32(37(3)4)35-31(25)30;1-37(2)16-15-32(39,28-14-8-12-22-11-6-7-13-26(22)28)29-19-25(33)17-24-18-27(23-9-4-3-5-10-23)31(36-30(24)29)38-21-34-20-35-38;1-34(2)18-15-31(36,26-13-7-4-8-14-26)27-22-29-24(21-28(27)32)20-25(19-23-11-5-3-6-12-23)30(33-29)35-16-9-10-17-35;1-34(2)15-13-30(36,25-11-7-4-8-12-25)27-20-26(31)19-23-18-24(17-22-9-5-3-6-10-22)29(33-28(23)27)35-16-14-32-21-35/h5-16,20-22,38H,17-19H2,1-4H3;3-14,17-21,39H,15-16H2,1-2H3;3-8,11-14,20-22,36H,9-10,15-19H2,1-2H3;3-12,14,16,18-21,36H,13,15,17H2,1-2H3
InChIKeyWCOJWCFBSOJGCQ-UHFFFAOYSA-N
MW2233.10 g/mol
LogP25.92
Rot. Bonds31

About 1-[3-benzyl-6-bromo-2-(dimethylamino)quinolin-8-yl]-3-(dimethylamino)-1-naphthalen-1-ylpropan-1-ol;1-(3-benzyl-6-bromo-2-imidazol-1-ylquinolin-8-yl)-3-(dimethylamino)-1-phenylpropan-1-ol;1-(3-benzyl-6-bromo-2-pyrrolidin-1-ylquinolin-7-yl)-3-(dimethylamino)-1-phenylpropan-1-ol;1-[6-bromo-3-phenyl-2-(1,2,4-triazol-1-yl)quinolin-8-yl]-3-(dimethylamino)-1-naphthalen-1-ylpropan-1-ol

1-[3-benzyl-6-bromo-2-(dimethylamino)quinolin-8-yl]-3-(dimethylamino)-1-naphthalen-1-ylpropan-1-ol;1-(3-benzyl-6-bromo-2-imidazol-1-ylquinolin-8-yl)-3-(dimethylamino)-1-phenylpropan-1-ol;1-(3-benzyl-6-bromo-2-pyrrolidin-1-ylquinolin-7-yl)-3-(dimethylamino)-1-phenylpropan-1-ol;1-[6-bromo-3-phenyl-2-(1,2,4-triazol-1-yl)quinolin-8-yl]-3-(dimethylamino)-1-naphthalen-1-ylpropan-1-ol (PubChem CID 161466985) has the molecular formula C126H125Br4N15O4 and a molecular weight of 2233.10 g/mol. Its IUPAC name is 1-[3-benzyl-6-bromo-2-(dimethylamino)quinolin-8-yl]-3-(dimethylamino)-1-naphthalen-1-ylpropan-1-ol;1-(3-benzyl-6-bromo-2-imidazol-1-ylquinolin-8-yl)-3-(dimethylamino)-1-phenylpropan-1-ol;1-(3-benzyl-6-bromo-2-pyrrolidin-1-ylquinolin-7-yl)-3-(dimethylamino)-1-phenylpropan-1-ol;1-[6-bromo-3-phenyl-2-(1,2,4-triazol-1-yl)quinolin-8-yl]-3-(dimethylamino)-1-naphthalen-1-ylpropan-1-ol.

Molecular Properties

Compound Name1-[3-benzyl-6-bromo-2-(dimethylamino)quinolin-8-yl]-3-(dimethylamino)-1-naphthalen-1-ylpropan-1-ol;1-(3-benzyl-6-bromo-2-imidazol-1-ylquinolin-8-yl)-3-(dimethylamino)-1-phenylpropan-1-ol;1-(3-benzyl-6-bromo-2-pyrrolidin-1-ylquinolin-7-yl)-3-(dimethylamino)-1-phenylpropan-1-ol;1-[6-bromo-3-phenyl-2-(1,2,4-triazol-1-yl)quinolin-8-yl]-3-(dimethylamino)-1-naphthalen-1-ylpropan-1-ol
PubChem CID161466985
Molecular FormulaC126H125Br4N15O4
Molecular Weight2233.10 g/mol
Exact Mass2227.68
IUPAC Name1-[3-benzyl-6-bromo-2-(dimethylamino)quinolin-8-yl]-3-(dimethylamino)-1-naphthalen-1-ylpropan-1-ol;1-(3-benzyl-6-bromo-2-imidazol-1-ylquinolin-8-yl)-3-(dimethylamino)-1-phenylpropan-1-ol;1-(3-benzyl-6-bromo-2-pyrrolidin-1-ylquinolin-7-yl)-3-(dimethylamino)-1-phenylpropan-1-ol;1-[6-bromo-3-phenyl-2-(1,2,4-triazol-1-yl)quinolin-8-yl]-3-(dimethylamino)-1-naphthalen-1-ylpropan-1-ol
SMILESCN(C)CCC(O)(c1cccc2ccccc12)c1cc(Br)cc2cc(-c3ccccc3)c(-n3cncn3)nc12.CN(C)CCC(O)(c1cccc2ccccc12)c1cc(Br)cc2cc(Cc3ccccc3)c(N(C)C)nc12.CN(C)CCC(O)(c1ccccc1)c1cc(Br)cc2cc(Cc3ccccc3)c(-n3ccnc3)nc12.CN(C)CCC(O)(c1ccccc1)c1cc2nc(N3CCCC3)c(Cc3ccccc3)cc2cc1Br
InChIInChI=1S/C33H34BrN3O.C32H28BrN5O.C31H34BrN3O.C30H29BrN4O/c1-36(2)18-17-33(38,29-16-10-14-24-13-8-9-15-28(24)29)30-22-27(34)21-25-20-26(19-23-11-6-5-7-12-23)32(37(3)4)35-31(25)30;1-37(2)16-15-32(39,28-14-8-12-22-11-6-7-13-26(22)28)29-19-25(33)17-24-18-27(23-9-4-3-5-10-23)31(36-30(24)29)38-21-34-20-35-38;1-34(2)18-15-31(36,26-13-7-4-8-14-26)27-22-29-24(21-28(27)32)20-25(19-23-11-5-3-6-12-23)30(33-29)35-16-9-10-17-35;1-34(2)15-13-30(36,25-11-7-4-8-12-25)27-20-26(31)19-23-18-24(17-22-9-5-3-6-10-22)29(33-28(23)27)35-16-14-32-21-35/h5-16,20-22,38H,17-19H2,1-4H3;3-14,17-21,39H,15-16H2,1-2H3;3-8,11-14,20-22,36H,9-10,15-19H2,1-2H3;3-12,14,16,18-21,36H,13,15,17H2,1-2H3
InChIKeyWCOJWCFBSOJGCQ-UHFFFAOYSA-N
XLogP25.92
TPSA200.45 Ų
H-Bond Donors4
H-Bond Acceptors19
Rotatable Bonds31
Heavy Atoms149
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002233.10
LogP ≤ 525.92
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1019

Analyze 1-[3-benzyl-6-bromo-2-(dimethylamino)quinolin-8-yl]-3-(dimethylamino)-1-naphthalen-1-ylpropan-1-ol;1-(3-benzyl-6-bromo-2-imidazol-1-ylquinolin-8-yl)-3-(dimethylamino)-1-phenylpropan-1-ol;1-(3-benzyl-6-bromo-2-pyrrolidin-1-ylquinolin-7-yl)-3-(dimethylamino)-1-phenylpropan-1-ol;1-[6-bromo-3-phenyl-2-(1,2,4-triazol-1-yl)quinolin-8-yl]-3-(dimethylamino)-1-naphthalen-1-ylpropan-1-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[3-benzyl-6-bromo-2-(dimethylamino)quinolin-8-yl]-3-(dimethylamino)-1-naphthalen-1-ylpropan-1-ol;1-(3-benzyl-6-bromo-2-imidazol-1-ylquinolin-8-yl)-3-(dimethylamino)-1-phenylpropan-1-ol;1-(3-benzyl-6-bromo-2-pyrrolidin-1-ylquinolin-7-yl)-3-(dimethylamino)-1-phenylpropan-1-ol;1-[6-bromo-3-phenyl-2-(1,2,4-triazol-1-yl)quinolin-8-yl]-3-(dimethylamino)-1-naphthalen-1-ylpropan-1-ol?
The IUPAC name of 1-[3-benzyl-6-bromo-2-(dimethylamino)quinolin-8-yl]-3-(dimethylamino)-1-naphthalen-1-ylpropan-1-ol;1-(3-benzyl-6-bromo-2-imidazol-1-ylquinolin-8-yl)-3-(dimethylamino)-1-phenylpropan-1-ol;1-(3-benzyl-6-bromo-2-pyrrolidin-1-ylquinolin-7-yl)-3-(dimethylamino)-1-phenylpropan-1-ol;1-[6-bromo-3-phenyl-2-(1,2,4-triazol-1-yl)quinolin-8-yl]-3-(dimethylamino)-1-naphthalen-1-ylpropan-1-ol (CID 161466985) is 1-[3-benzyl-6-bromo-2-(dimethylamino)quinolin-8-yl]-3-(dimethylamino)-1-naphthalen-1-ylpropan-1-ol;1-(3-benzyl-6-bromo-2-imidazol-1-ylquinolin-8-yl)-3-(dimethylamino)-1-phenylpropan-1-ol;1-(3-benzyl-6-bromo-2-pyrrolidin-1-ylquinolin-7-yl)-3-(dimethylamino)-1-phenylpropan-1-ol;1-[6-bromo-3-phenyl-2-(1,2,4-triazol-1-yl)quinolin-8-yl]-3-(dimethylamino)-1-naphthalen-1-ylpropan-1-ol.
What is the SMILES notation for 1-[3-benzyl-6-bromo-2-(dimethylamino)quinolin-8-yl]-3-(dimethylamino)-1-naphthalen-1-ylpropan-1-ol;1-(3-benzyl-6-bromo-2-imidazol-1-ylquinolin-8-yl)-3-(dimethylamino)-1-phenylpropan-1-ol;1-(3-benzyl-6-bromo-2-pyrrolidin-1-ylquinolin-7-yl)-3-(dimethylamino)-1-phenylpropan-1-ol;1-[6-bromo-3-phenyl-2-(1,2,4-triazol-1-yl)quinolin-8-yl]-3-(dimethylamino)-1-naphthalen-1-ylpropan-1-ol?
The canonical SMILES for 1-[3-benzyl-6-bromo-2-(dimethylamino)quinolin-8-yl]-3-(dimethylamino)-1-naphthalen-1-ylpropan-1-ol;1-(3-benzyl-6-bromo-2-imidazol-1-ylquinolin-8-yl)-3-(dimethylamino)-1-phenylpropan-1-ol;1-(3-benzyl-6-bromo-2-pyrrolidin-1-ylquinolin-7-yl)-3-(dimethylamino)-1-phenylpropan-1-ol;1-[6-bromo-3-phenyl-2-(1,2,4-triazol-1-yl)quinolin-8-yl]-3-(dimethylamino)-1-naphthalen-1-ylpropan-1-ol is CN(C)CCC(O)(c1cccc2ccccc12)c1cc(Br)cc2cc(-c3ccccc3)c(-n3cncn3)nc12.CN(C)CCC(O)(c1cccc2ccccc12)c1cc(Br)cc2cc(Cc3ccccc3)c(N(C)C)nc12.CN(C)CCC(O)(c1ccccc1)c1cc(Br)cc2cc(Cc3ccccc3)c(-n3ccnc3)nc12.CN(C)CCC(O)(c1ccccc1)c1cc2nc(N3CCCC3)c(Cc3ccccc3)cc2cc1Br.
What is the InChIKey of 1-[3-benzyl-6-bromo-2-(dimethylamino)quinolin-8-yl]-3-(dimethylamino)-1-naphthalen-1-ylpropan-1-ol;1-(3-benzyl-6-bromo-2-imidazol-1-ylquinolin-8-yl)-3-(dimethylamino)-1-phenylpropan-1-ol;1-(3-benzyl-6-bromo-2-pyrrolidin-1-ylquinolin-7-yl)-3-(dimethylamino)-1-phenylpropan-1-ol;1-[6-bromo-3-phenyl-2-(1,2,4-triazol-1-yl)quinolin-8-yl]-3-(dimethylamino)-1-naphthalen-1-ylpropan-1-ol?
The InChIKey is WCOJWCFBSOJGCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H34BrN3O.C32H28BrN5O.C31H34BrN3O.C30H29BrN4O/c1-36(2)18-17-33(38,29-16-10-14-24-13-8-9-15-28(24)29)30-22-27(34)21-25-20-26(19-23-11-6-5-7-12-23)32(37(3)4)35-31(25)30;1-37(2)16-15-32(39,28-14-8-12-22-11-6-7-13-26(22)28)29-19-25(33)17-24-18-27(23-9-4-3-5-10-23)31(36-30(24)29)38-21-34-20-35-38;1-34(2)18-15-31(36,26-13-7-4-8-14-26)27-22-29-24(21-28(27)32)20-25(19-23-11-5-3-6-12-23)30(33-29)35-16-9-10-17-35;1-34(2)15-13-30(36,25-11-7-4-8-12-25)27-20-26(31)19-23-18-24(17-22-9-5-3-6-10-22)29(33-28(23)27)35-16-14-32-21-35/h5-16,20-22,38H,17-19H2,1-4H3;3-14,17-21,39H,15-16H2,1-2H3;3-8,11-14,20-22,36H,9-10,15-19H2,1-2H3;3-12,14,16,18-21,36H,13,15,17H2,1-2H3.
What are the key properties of 1-[3-benzyl-6-bromo-2-(dimethylamino)quinolin-8-yl]-3-(dimethylamino)-1-naphthalen-1-ylpropan-1-ol;1-(3-benzyl-6-bromo-2-imidazol-1-ylquinolin-8-yl)-3-(dimethylamino)-1-phenylpropan-1-ol;1-(3-benzyl-6-bromo-2-pyrrolidin-1-ylquinolin-7-yl)-3-(dimethylamino)-1-phenylpropan-1-ol;1-[6-bromo-3-phenyl-2-(1,2,4-triazol-1-yl)quinolin-8-yl]-3-(dimethylamino)-1-naphthalen-1-ylpropan-1-ol?
1-[3-benzyl-6-bromo-2-(dimethylamino)quinolin-8-yl]-3-(dimethylamino)-1-naphthalen-1-ylpropan-1-ol;1-(3-benzyl-6-bromo-2-imidazol-1-ylquinolin-8-yl)-3-(dimethylamino)-1-phenylpropan-1-ol;1-(3-benzyl-6-bromo-2-pyrrolidin-1-ylquinolin-7-yl)-3-(dimethylamino)-1-phenylpropan-1-ol;1-[6-bromo-3-phenyl-2-(1,2,4-triazol-1-yl)quinolin-8-yl]-3-(dimethylamino)-1-naphthalen-1-ylpropan-1-ol has a molecular weight of 2233.10 g/mol, XLogP of 25.92, 31 rotatable bonds, 4 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-benzyl-6-bromo-2-(dimethylamino)quinolin-8-yl]-3-(dimethylamino)-1-naphthalen-1-ylpropan-1-ol;1-(3-benzyl-6-bromo-2-imidazol-1-ylquinolin-8-yl)-3-(dimethylamino)-1-phenylpropan-1-ol;1-(3-benzyl-6-bromo-2-pyrrolidin-1-ylquinolin-7-yl)-3-(dimethylamino)-1-phenylpropan-1-ol;1-[6-bromo-3-phenyl-2-(1,2,4-triazol-1-yl)quinolin-8-yl]-3-(dimethylamino)-1-naphthalen-1-ylpropan-1-ol is sourced from PubChem (CID 161466985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).