2-(5-chloro-8-phenylmethoxyquinolin-7-yl)-2-[4-(morpholin-4-ylmethyl)phenyl]ethanol

C29H29ClN2O3 — CID 68862659

IUPAC2-(5-chloro-8-phenylmethoxyquinolin-7-yl)-2-[4-(morpholin-4-ylmethyl)phenyl]ethanol
SMILESOCC(c1ccc(CN2CCOCC2)cc1)c1cc(Cl)c2cccnc2c1OCc1ccccc1
InChIInChI=1S/C29H29ClN2O3/c30-27-17-25(26(19-33)23-10-8-21(9-11-23)18-32-13-15-34-16-14-32)29(28-24(27)7-4-12-31-28)35-20-22-5-2-1-3-6-22/h1-12,17,26,33H,13-16,18-20H2
InChIKeyLQFWRGQKGPGYCO-UHFFFAOYSA-N
MW489.02 g/mol
LogP5.42
Rot. Bonds8

About 2-(5-chloro-8-phenylmethoxyquinolin-7-yl)-2-[4-(morpholin-4-ylmethyl)phenyl]ethanol

2-(5-chloro-8-phenylmethoxyquinolin-7-yl)-2-[4-(morpholin-4-ylmethyl)phenyl]ethanol (PubChem CID 68862659) has the molecular formula C29H29ClN2O3 and a molecular weight of 489.02 g/mol. Its IUPAC name is 2-(5-chloro-8-phenylmethoxyquinolin-7-yl)-2-[4-(morpholin-4-ylmethyl)phenyl]ethanol.

Molecular Properties

Compound Name2-(5-chloro-8-phenylmethoxyquinolin-7-yl)-2-[4-(morpholin-4-ylmethyl)phenyl]ethanol
PubChem CID68862659
Molecular FormulaC29H29ClN2O3
Molecular Weight489.02 g/mol
Exact Mass488.19
IUPAC Name2-(5-chloro-8-phenylmethoxyquinolin-7-yl)-2-[4-(morpholin-4-ylmethyl)phenyl]ethanol
SMILESOCC(c1ccc(CN2CCOCC2)cc1)c1cc(Cl)c2cccnc2c1OCc1ccccc1
InChIInChI=1S/C29H29ClN2O3/c30-27-17-25(26(19-33)23-10-8-21(9-11-23)18-32-13-15-34-16-14-32)29(28-24(27)7-4-12-31-28)35-20-22-5-2-1-3-6-22/h1-12,17,26,33H,13-16,18-20H2
InChIKeyLQFWRGQKGPGYCO-UHFFFAOYSA-N
XLogP5.42
TPSA54.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.02
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(5-chloro-8-phenylmethoxyquinolin-7-yl)-2-[4-(morpholin-4-ylmethyl)phenyl]ethanol with MolForge

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Related Compounds

5-chloro-7-[(S)-(4-chlorophenyl)-morpholin-4-ylmethyl]quinolin-8-ol
CID 1181700
5-chloro-8-(pyridin-2-ylmethoxy)-7-(pyrrolidin-1-ylmethyl)quinoline
CID 4702087
1-[2-[4-(morpholin-4-ylmethyl)phenyl]propyl]-4-phenylmethoxypyridin-2-one
CID 25029072
7-chloro-5-(4-fluorophenyl)sulfanyl-8-phenylmethoxyquinoline
CID 122440024
7-(morpholin-4-ylmethyl)-5-(propan-2-yloxymethyl)quinolin-8-ol
CID 23604749
5-chloro-7-[(S)-(4-chlorophenyl)-morpholin-4-ium-4-ylmethyl]quinolin-8-ol
CID 6972928
N-[5-(morpholin-4-ylmethyl)-2-pyridinyl]benzo[f]quinoline-5-carboxamide
CID 75469956
7-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-pyridin-2-ylmethyl]-5-chloroquinolin-8-ol
CID 171148373
N-tert-butyl-2-(5-chloro-8-phenylmethoxyquinolin-7-yl)-2-oxoacetamide
CID 42604954
N-[4-(morpholin-4-ylmethyl)phenyl]-2,4-bis(phenylmethoxy)-5-propan-2-ylbenzamide
CID 135336988
N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-2-(4-phenylmethoxyphenoxy)acetamide
CID 55970132
5-chloro-7-(pyrrolidin-1-ylmethyl)quinolin-8-ol
CID 716609

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-8-phenylmethoxyquinolin-7-yl)-2-[4-(morpholin-4-ylmethyl)phenyl]ethanol?
The IUPAC name of 2-(5-chloro-8-phenylmethoxyquinolin-7-yl)-2-[4-(morpholin-4-ylmethyl)phenyl]ethanol (CID 68862659) is 2-(5-chloro-8-phenylmethoxyquinolin-7-yl)-2-[4-(morpholin-4-ylmethyl)phenyl]ethanol.
What is the SMILES notation for 2-(5-chloro-8-phenylmethoxyquinolin-7-yl)-2-[4-(morpholin-4-ylmethyl)phenyl]ethanol?
The canonical SMILES for 2-(5-chloro-8-phenylmethoxyquinolin-7-yl)-2-[4-(morpholin-4-ylmethyl)phenyl]ethanol is OCC(c1ccc(CN2CCOCC2)cc1)c1cc(Cl)c2cccnc2c1OCc1ccccc1.
What is the InChIKey of 2-(5-chloro-8-phenylmethoxyquinolin-7-yl)-2-[4-(morpholin-4-ylmethyl)phenyl]ethanol?
The InChIKey is LQFWRGQKGPGYCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29ClN2O3/c30-27-17-25(26(19-33)23-10-8-21(9-11-23)18-32-13-15-34-16-14-32)29(28-24(27)7-4-12-31-28)35-20-22-5-2-1-3-6-22/h1-12,17,26,33H,13-16,18-20H2.
What are the key properties of 2-(5-chloro-8-phenylmethoxyquinolin-7-yl)-2-[4-(morpholin-4-ylmethyl)phenyl]ethanol?
2-(5-chloro-8-phenylmethoxyquinolin-7-yl)-2-[4-(morpholin-4-ylmethyl)phenyl]ethanol has a molecular weight of 489.02 g/mol, XLogP of 5.42, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-8-phenylmethoxyquinolin-7-yl)-2-[4-(morpholin-4-ylmethyl)phenyl]ethanol is sourced from PubChem (CID 68862659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).