1-(1-benzofuran-2-yl)-3-(dimethylamino)-1-(2-methoxy-3-phenylquinolin-5-yl)propan-1-ol;3-(dimethylamino)-1-(2-methoxy-3-phenylquinolin-5-yl)-1-pyridin-2-ylpropan-1-ol

C55H55N5O5 — CID 160774633

IUPAC1-(1-benzofuran-2-yl)-3-(dimethylamino)-1-(2-methoxy-3-phenylquinolin-5-yl)propan-1-ol;3-(dimethylamino)-1-(2-methoxy-3-phenylquinolin-5-yl)-1-pyridin-2-ylpropan-1-ol
SMILESCOc1nc2cccc(C(O)(CCN(C)C)c3cc4ccccc4o3)c2cc1-c1ccccc1.COc1nc2cccc(C(O)(CCN(C)C)c3ccccn3)c2cc1-c1ccccc1
InChIInChI=1S/C29H28N2O3.C26H27N3O2/c1-31(2)17-16-29(32,27-18-21-12-7-8-15-26(21)34-27)24-13-9-14-25-23(24)19-22(28(30-25)33-3)20-10-5-4-6-11-20;1-29(2)17-15-26(30,24-14-7-8-16-27-24)22-12-9-13-23-21(22)18-20(25(28-23)31-3)19-10-5-4-6-11-19/h4-15,18-19,32H,16-17H2,1-3H3;4-14,16,18,30H,15,17H2,1-3H3
InChIKeyRZTYGELLCRXAMZ-UHFFFAOYSA-N
MW866.08 g/mol
LogP10.34
Rot. Bonds14

About 1-(1-benzofuran-2-yl)-3-(dimethylamino)-1-(2-methoxy-3-phenylquinolin-5-yl)propan-1-ol;3-(dimethylamino)-1-(2-methoxy-3-phenylquinolin-5-yl)-1-pyridin-2-ylpropan-1-ol

1-(1-benzofuran-2-yl)-3-(dimethylamino)-1-(2-methoxy-3-phenylquinolin-5-yl)propan-1-ol;3-(dimethylamino)-1-(2-methoxy-3-phenylquinolin-5-yl)-1-pyridin-2-ylpropan-1-ol (PubChem CID 160774633) has the molecular formula C55H55N5O5 and a molecular weight of 866.08 g/mol. Its IUPAC name is 1-(1-benzofuran-2-yl)-3-(dimethylamino)-1-(2-methoxy-3-phenylquinolin-5-yl)propan-1-ol;3-(dimethylamino)-1-(2-methoxy-3-phenylquinolin-5-yl)-1-pyridin-2-ylpropan-1-ol.

Molecular Properties

Compound Name1-(1-benzofuran-2-yl)-3-(dimethylamino)-1-(2-methoxy-3-phenylquinolin-5-yl)propan-1-ol;3-(dimethylamino)-1-(2-methoxy-3-phenylquinolin-5-yl)-1-pyridin-2-ylpropan-1-ol
PubChem CID160774633
Molecular FormulaC55H55N5O5
Molecular Weight866.08 g/mol
Exact Mass865.42
IUPAC Name1-(1-benzofuran-2-yl)-3-(dimethylamino)-1-(2-methoxy-3-phenylquinolin-5-yl)propan-1-ol;3-(dimethylamino)-1-(2-methoxy-3-phenylquinolin-5-yl)-1-pyridin-2-ylpropan-1-ol
SMILESCOc1nc2cccc(C(O)(CCN(C)C)c3cc4ccccc4o3)c2cc1-c1ccccc1.COc1nc2cccc(C(O)(CCN(C)C)c3ccccn3)c2cc1-c1ccccc1
InChIInChI=1S/C29H28N2O3.C26H27N3O2/c1-31(2)17-16-29(32,27-18-21-12-7-8-15-26(21)34-27)24-13-9-14-25-23(24)19-22(28(30-25)33-3)20-10-5-4-6-11-20;1-29(2)17-15-26(30,24-14-7-8-16-27-24)22-12-9-13-23-21(22)18-20(25(28-23)31-3)19-10-5-4-6-11-19/h4-15,18-19,32H,16-17H2,1-3H3;4-14,16,18,30H,15,17H2,1-3H3
InChIKeyRZTYGELLCRXAMZ-UHFFFAOYSA-N
XLogP10.34
TPSA117.21 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds14
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500866.08
LogP ≤ 510.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 1-(1-benzofuran-2-yl)-3-(dimethylamino)-1-(2-methoxy-3-phenylquinolin-5-yl)propan-1-ol;3-(dimethylamino)-1-(2-methoxy-3-phenylquinolin-5-yl)-1-pyridin-2-ylpropan-1-ol with MolForge

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Launch Full Analysis

Related Compounds

2-(1-Benzofuran-2-yl)-4-(dimethylamino)-1-(3-fluorophenyl)-1-(6-isocyano-2-methoxyquinolin-3-yl)butan-2-ol
CID 141641921
2-(3,5-Difluoro-2-methylphenyl)-1-methylpyridin-1-ium;1-methyl-2-(1-methylnaphthalen-2-yl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-6-phenylpyridin-1-ium;[4-methyl-5-(1-methylquinolin-1-ium-2-yl)furan-2-yl]methanol;[4-methyl-3-[1-methyl-5-(trifluoromethyl)pyridin-1-ium-2-yl]phenyl]methyl formate
CID 158058096
2-(3,5-Difluoro-2-methylphenyl)-1-methylpyridin-1-ium;6-(4-ethoxy-1-methylpyridin-1-ium-2-yl)-7-methylnaphthalene-1,4-dione;methane;1-methyl-2-(1-methylnaphthalen-2-yl)pyridin-1-ium;[4-methyl-5-(1-methylquinolin-1-ium-2-yl)furan-2-yl]methanol;[4-methyl-3-[1-methyl-5-(trifluoromethyl)pyridin-1-ium-2-yl]phenyl]methyl formate
CID 161129018
3-Quinolineethanol, alpha-[2-(dimethylamino)ethyl]-6-[5-(hydroxymethyl)-2-furanyl]-2-methoxy-alpha-1-naphthalenyl-beta-phenyl-
CID 49767219
2-(Benzofuran-2-yl)-1-(6-bromo-2-methoxy-3-quinolyl)-1-(2,3-dimethoxy-4-pyridyl)-4-(dimethylamino)butan-2-ol
CID 130406800
8-[3-[Fluoro-(3-pyridin-2-ylphenyl)methyl]phenyl]-13,13-dimethyl-[1]benzofuro[3,2-a]acridine
CID 162482939
1-[(2S)-3-dibenzofuran-3-yloxy-2-hydroxypropyl]-4-quinolin-3-ylpiperidin-4-ol
CID 57037680
1-(1-Benzofuran-2-yl)-3-(dimethylamino)-1-(2-methoxy-3-phenylquinolin-5-yl)propan-1-ol
CID 58857467
3-(Dimethylamino)-1-(furan-2-yl)-1-(4-phenyl-2-pyridin-3-ylquinolin-6-yl)propan-1-ol
CID 58857511
3-(Dimethylamino)-1-(furan-2-yl)-1-(2-methoxy-3-phenylquinolin-5-yl)propan-1-ol
CID 58857534
2-(tert-butylamino)-1-(7-ethyl-1-benzofuran-2-yl)ethanol;(S)-[(2R,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol
CID 67678642
(3R,4S)-1-(1-benzofuran-2-ylmethyl)-4-[3-(3-methoxyquinolin-5-yl)propyl]piperidine-3-carboxylic acid
CID 68562108

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzofuran-2-yl)-3-(dimethylamino)-1-(2-methoxy-3-phenylquinolin-5-yl)propan-1-ol;3-(dimethylamino)-1-(2-methoxy-3-phenylquinolin-5-yl)-1-pyridin-2-ylpropan-1-ol?
The IUPAC name of 1-(1-benzofuran-2-yl)-3-(dimethylamino)-1-(2-methoxy-3-phenylquinolin-5-yl)propan-1-ol;3-(dimethylamino)-1-(2-methoxy-3-phenylquinolin-5-yl)-1-pyridin-2-ylpropan-1-ol (CID 160774633) is 1-(1-benzofuran-2-yl)-3-(dimethylamino)-1-(2-methoxy-3-phenylquinolin-5-yl)propan-1-ol;3-(dimethylamino)-1-(2-methoxy-3-phenylquinolin-5-yl)-1-pyridin-2-ylpropan-1-ol.
What is the SMILES notation for 1-(1-benzofuran-2-yl)-3-(dimethylamino)-1-(2-methoxy-3-phenylquinolin-5-yl)propan-1-ol;3-(dimethylamino)-1-(2-methoxy-3-phenylquinolin-5-yl)-1-pyridin-2-ylpropan-1-ol?
The canonical SMILES for 1-(1-benzofuran-2-yl)-3-(dimethylamino)-1-(2-methoxy-3-phenylquinolin-5-yl)propan-1-ol;3-(dimethylamino)-1-(2-methoxy-3-phenylquinolin-5-yl)-1-pyridin-2-ylpropan-1-ol is COc1nc2cccc(C(O)(CCN(C)C)c3cc4ccccc4o3)c2cc1-c1ccccc1.COc1nc2cccc(C(O)(CCN(C)C)c3ccccn3)c2cc1-c1ccccc1.
What is the InChIKey of 1-(1-benzofuran-2-yl)-3-(dimethylamino)-1-(2-methoxy-3-phenylquinolin-5-yl)propan-1-ol;3-(dimethylamino)-1-(2-methoxy-3-phenylquinolin-5-yl)-1-pyridin-2-ylpropan-1-ol?
The InChIKey is RZTYGELLCRXAMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28N2O3.C26H27N3O2/c1-31(2)17-16-29(32,27-18-21-12-7-8-15-26(21)34-27)24-13-9-14-25-23(24)19-22(28(30-25)33-3)20-10-5-4-6-11-20;1-29(2)17-15-26(30,24-14-7-8-16-27-24)22-12-9-13-23-21(22)18-20(25(28-23)31-3)19-10-5-4-6-11-19/h4-15,18-19,32H,16-17H2,1-3H3;4-14,16,18,30H,15,17H2,1-3H3.
What are the key properties of 1-(1-benzofuran-2-yl)-3-(dimethylamino)-1-(2-methoxy-3-phenylquinolin-5-yl)propan-1-ol;3-(dimethylamino)-1-(2-methoxy-3-phenylquinolin-5-yl)-1-pyridin-2-ylpropan-1-ol?
1-(1-benzofuran-2-yl)-3-(dimethylamino)-1-(2-methoxy-3-phenylquinolin-5-yl)propan-1-ol;3-(dimethylamino)-1-(2-methoxy-3-phenylquinolin-5-yl)-1-pyridin-2-ylpropan-1-ol has a molecular weight of 866.08 g/mol, XLogP of 10.34, 14 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzofuran-2-yl)-3-(dimethylamino)-1-(2-methoxy-3-phenylquinolin-5-yl)propan-1-ol;3-(dimethylamino)-1-(2-methoxy-3-phenylquinolin-5-yl)-1-pyridin-2-ylpropan-1-ol is sourced from PubChem (CID 160774633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).