4-[4-[(3-methyl-4-phenylmethoxyquinolin-2-yl)methylamino]butyl]phenol

C28H30N2O2 — CID 143781927

IUPAC4-[4-[(3-methyl-4-phenylmethoxyquinolin-2-yl)methylamino]butyl]phenol
SMILESCc1c(CNCCCCc2ccc(O)cc2)nc2ccccc2c1OCc1ccccc1
InChIInChI=1S/C28H30N2O2/c1-21-27(19-29-18-8-7-9-22-14-16-24(31)17-15-22)30-26-13-6-5-12-25(26)28(21)32-20-23-10-3-2-4-11-23/h2-6,10-17,29,31H,7-9,18-20H2,1H3
InChIKeyPJVWQXKPIREAFO-UHFFFAOYSA-N
MW426.56 g/mol
LogP5.94
Rot. Bonds10

About 4-[4-[(3-methyl-4-phenylmethoxyquinolin-2-yl)methylamino]butyl]phenol

4-[4-[(3-methyl-4-phenylmethoxyquinolin-2-yl)methylamino]butyl]phenol (PubChem CID 143781927) has the molecular formula C28H30N2O2 and a molecular weight of 426.56 g/mol. Its IUPAC name is 4-[4-[(3-methyl-4-phenylmethoxyquinolin-2-yl)methylamino]butyl]phenol.

Molecular Properties

Compound Name4-[4-[(3-methyl-4-phenylmethoxyquinolin-2-yl)methylamino]butyl]phenol
PubChem CID143781927
Molecular FormulaC28H30N2O2
Molecular Weight426.56 g/mol
Exact Mass426.23
IUPAC Name4-[4-[(3-methyl-4-phenylmethoxyquinolin-2-yl)methylamino]butyl]phenol
SMILESCc1c(CNCCCCc2ccc(O)cc2)nc2ccccc2c1OCc1ccccc1
InChIInChI=1S/C28H30N2O2/c1-21-27(19-29-18-8-7-9-22-14-16-24(31)17-15-22)30-26-13-6-5-12-25(26)28(21)32-20-23-10-3-2-4-11-23/h2-6,10-17,29,31H,7-9,18-20H2,1H3
InChIKeyPJVWQXKPIREAFO-UHFFFAOYSA-N
XLogP5.94
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.56
LogP ≤ 55.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(3-methyl-4-phenylmethoxyquinolin-2-yl)methyl]-1-phenylmethanamine
CID 59526922
(3-methyl-4-phenylmethoxyquinolin-2-yl)methanol
CID 68508380
3-methyl-4-phenylmethoxy-2-(pyridin-2-yloxymethyl)quinoline
CID 59527387
4-[2-(5,6-dimethoxy-3-methyl-4-phenylmethoxy-2-pyridinyl)ethyl]phenol
CID 58625510
2-(heptoxymethyl)-3-methyl-4-phenylmethoxyquinoline
CID 59527122
3-methyl-2-[4-[(2-methylpropan-2-yl)oxy]butoxymethyl]-4-phenylmethoxyquinoline
CID 59526885
2-methyl-5-[3-[(3-methyl-4-phenylmethoxyquinolin-2-yl)methoxy]phenoxy]pentan-2-ol
CID 59527442
4-[[6-(2-phenylethoxy)hexylamino]methyl]phenol
CID 174549086
1-[2-[3-[(3-methyl-4-phenylmethoxyquinolin-2-yl)methoxy]phenoxy]ethyl]cyclobutan-1-ol
CID 59527448
(3-methyl-4-phenylmethoxyquinolin-2-yl)methyl morpholine-4-carboxylate
CID 59527580
4-[2-[(2-methylquinolin-4-yl)amino]ethyl]phenol
CID 61238902
2-(chloromethyl)-4-phenylmethoxy-3-propan-2-ylquinoline
CID 59527542

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(3-methyl-4-phenylmethoxyquinolin-2-yl)methylamino]butyl]phenol?
The IUPAC name of 4-[4-[(3-methyl-4-phenylmethoxyquinolin-2-yl)methylamino]butyl]phenol (CID 143781927) is 4-[4-[(3-methyl-4-phenylmethoxyquinolin-2-yl)methylamino]butyl]phenol.
What is the SMILES notation for 4-[4-[(3-methyl-4-phenylmethoxyquinolin-2-yl)methylamino]butyl]phenol?
The canonical SMILES for 4-[4-[(3-methyl-4-phenylmethoxyquinolin-2-yl)methylamino]butyl]phenol is Cc1c(CNCCCCc2ccc(O)cc2)nc2ccccc2c1OCc1ccccc1.
What is the InChIKey of 4-[4-[(3-methyl-4-phenylmethoxyquinolin-2-yl)methylamino]butyl]phenol?
The InChIKey is PJVWQXKPIREAFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N2O2/c1-21-27(19-29-18-8-7-9-22-14-16-24(31)17-15-22)30-26-13-6-5-12-25(26)28(21)32-20-23-10-3-2-4-11-23/h2-6,10-17,29,31H,7-9,18-20H2,1H3.
What are the key properties of 4-[4-[(3-methyl-4-phenylmethoxyquinolin-2-yl)methylamino]butyl]phenol?
4-[4-[(3-methyl-4-phenylmethoxyquinolin-2-yl)methylamino]butyl]phenol has a molecular weight of 426.56 g/mol, XLogP of 5.94, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(3-methyl-4-phenylmethoxyquinolin-2-yl)methylamino]butyl]phenol is sourced from PubChem (CID 143781927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).