2-methyl-5-[3-[(3-methyl-4-phenylmethoxyquinolin-2-yl)methoxy]phenoxy]pentan-2-ol

C30H33NO4 — CID 59527442

IUPAC2-methyl-5-[3-[(3-methyl-4-phenylmethoxyquinolin-2-yl)methoxy]phenoxy]pentan-2-ol
SMILESCc1c(COc2cccc(OCCCC(C)(C)O)c2)nc2ccccc2c1OCc1ccccc1
InChIInChI=1S/C30H33NO4/c1-22-28(21-34-25-14-9-13-24(19-25)33-18-10-17-30(2,3)32)31-27-16-8-7-15-26(27)29(22)35-20-23-11-5-4-6-12-23/h4-9,11-16,19,32H,10,17-18,20-21H2,1-3H3
InChIKeyLCFTWWXGUYRONL-UHFFFAOYSA-N
MW471.60 g/mol
LogP6.63
Rot. Bonds11

About 2-methyl-5-[3-[(3-methyl-4-phenylmethoxyquinolin-2-yl)methoxy]phenoxy]pentan-2-ol

2-methyl-5-[3-[(3-methyl-4-phenylmethoxyquinolin-2-yl)methoxy]phenoxy]pentan-2-ol (PubChem CID 59527442) has the molecular formula C30H33NO4 and a molecular weight of 471.60 g/mol. Its IUPAC name is 2-methyl-5-[3-[(3-methyl-4-phenylmethoxyquinolin-2-yl)methoxy]phenoxy]pentan-2-ol.

Molecular Properties

Compound Name2-methyl-5-[3-[(3-methyl-4-phenylmethoxyquinolin-2-yl)methoxy]phenoxy]pentan-2-ol
PubChem CID59527442
Molecular FormulaC30H33NO4
Molecular Weight471.60 g/mol
Exact Mass471.24
IUPAC Name2-methyl-5-[3-[(3-methyl-4-phenylmethoxyquinolin-2-yl)methoxy]phenoxy]pentan-2-ol
SMILESCc1c(COc2cccc(OCCCC(C)(C)O)c2)nc2ccccc2c1OCc1ccccc1
InChIInChI=1S/C30H33NO4/c1-22-28(21-34-25-14-9-13-24(19-25)33-18-10-17-30(2,3)32)31-27-16-8-7-15-26(27)29(22)35-20-23-11-5-4-6-12-23/h4-9,11-16,19,32H,10,17-18,20-21H2,1-3H3
InChIKeyLCFTWWXGUYRONL-UHFFFAOYSA-N
XLogP6.63
TPSA60.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.60
LogP ≤ 56.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-methyl-5-[3-[(3-methyl-4-phenylmethoxyquinolin-2-yl)methoxy]phenoxy]pentan-2-ol with MolForge

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Related Compounds

1-[2-[3-[(3-methyl-4-phenylmethoxyquinolin-2-yl)methoxy]phenoxy]ethyl]cyclobutan-1-ol
CID 59527448
(3-methyl-4-phenylmethoxyquinolin-2-yl)methanol
CID 68508380
2-[[4-(3-methoxy-3-methylbutoxy)-2-pyridinyl]oxymethyl]-3-methyl-4-phenylmethoxyquinoline
CID 59526863
1-[4-[3-[(3-methyl-4-phenylmethoxyquinolin-2-yl)methoxy]phenoxy]piperidin-1-yl]ethanone
CID 59526930
4-[1-[3-[(4-butoxy-3-methylquinolin-2-yl)methoxy]phenyl]piperidin-4-yl]oxy-2-methylbutan-2-ol
CID 70839437
3-methyl-2-[4-[(2-methylpropan-2-yl)oxy]butoxymethyl]-4-phenylmethoxyquinoline
CID 59526885
3-methyl-2-[[5-[2-(oxan-4-yl)ethoxy]-3-pyridinyl]oxymethyl]-4-phenylmethoxyquinoline
CID 59526991
3-methyl-4-phenylmethoxy-2-(pyridin-2-yloxymethyl)quinoline
CID 59527387
2-[[3-[4-(2-methoxyethoxy)piperidin-1-yl]phenoxy]methyl]-3-methyl-4-phenylmethoxyquinoline
CID 59527353
2-(heptoxymethyl)-3-methyl-4-phenylmethoxyquinoline
CID 59527122
4-butoxy-2-[[3-methoxy-5-(3-methyl-3-nitrosobutoxy)phenoxy]methyl]-3-methylquinoline
CID 89063758
1-(3-phenylmethoxyphenyl)-1-quinazolin-4-ylethanol
CID 118736450

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[3-[(3-methyl-4-phenylmethoxyquinolin-2-yl)methoxy]phenoxy]pentan-2-ol?
The IUPAC name of 2-methyl-5-[3-[(3-methyl-4-phenylmethoxyquinolin-2-yl)methoxy]phenoxy]pentan-2-ol (CID 59527442) is 2-methyl-5-[3-[(3-methyl-4-phenylmethoxyquinolin-2-yl)methoxy]phenoxy]pentan-2-ol.
What is the SMILES notation for 2-methyl-5-[3-[(3-methyl-4-phenylmethoxyquinolin-2-yl)methoxy]phenoxy]pentan-2-ol?
The canonical SMILES for 2-methyl-5-[3-[(3-methyl-4-phenylmethoxyquinolin-2-yl)methoxy]phenoxy]pentan-2-ol is Cc1c(COc2cccc(OCCCC(C)(C)O)c2)nc2ccccc2c1OCc1ccccc1.
What is the InChIKey of 2-methyl-5-[3-[(3-methyl-4-phenylmethoxyquinolin-2-yl)methoxy]phenoxy]pentan-2-ol?
The InChIKey is LCFTWWXGUYRONL-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33NO4/c1-22-28(21-34-25-14-9-13-24(19-25)33-18-10-17-30(2,3)32)31-27-16-8-7-15-26(27)29(22)35-20-23-11-5-4-6-12-23/h4-9,11-16,19,32H,10,17-18,20-21H2,1-3H3.
What are the key properties of 2-methyl-5-[3-[(3-methyl-4-phenylmethoxyquinolin-2-yl)methoxy]phenoxy]pentan-2-ol?
2-methyl-5-[3-[(3-methyl-4-phenylmethoxyquinolin-2-yl)methoxy]phenoxy]pentan-2-ol has a molecular weight of 471.60 g/mol, XLogP of 6.63, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[3-[(3-methyl-4-phenylmethoxyquinolin-2-yl)methoxy]phenoxy]pentan-2-ol is sourced from PubChem (CID 59527442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).