2-methoxy-6-[[3-[[7-(4-methoxyphenyl)quinolin-4-yl]amino]propylamino]methyl]phenol;hydrochloride

C27H30ClN3O3 — CID 56594877

IUPAC2-methoxy-6-[[3-[[7-(4-methoxyphenyl)quinolin-4-yl]amino]propylamino]methyl]phenol;hydrochloride
SMILESCOc1ccc(-c2ccc3c(NCCCNCc4cccc(OC)c4O)ccnc3c2)cc1.Cl
InChIInChI=1S/C27H29N3O3.ClH/c1-32-22-10-7-19(8-11-22)20-9-12-23-24(13-16-30-25(23)17-20)29-15-4-14-28-18-21-5-3-6-26(33-2)27(21)31;/h3,5-13,16-17,28,31H,4,14-15,18H2,1-2H3,(H,29,30);1H
InChIKeyRMTIQUSNLUFXTD-UHFFFAOYSA-N
MW480.01 g/mol
LogP5.64
Rot. Bonds10

About 2-methoxy-6-[[3-[[7-(4-methoxyphenyl)quinolin-4-yl]amino]propylamino]methyl]phenol;hydrochloride

2-methoxy-6-[[3-[[7-(4-methoxyphenyl)quinolin-4-yl]amino]propylamino]methyl]phenol;hydrochloride (PubChem CID 56594877) has the molecular formula C27H30ClN3O3 and a molecular weight of 480.01 g/mol. Its IUPAC name is 2-methoxy-6-[[3-[[7-(4-methoxyphenyl)quinolin-4-yl]amino]propylamino]methyl]phenol;hydrochloride.

Molecular Properties

Compound Name2-methoxy-6-[[3-[[7-(4-methoxyphenyl)quinolin-4-yl]amino]propylamino]methyl]phenol;hydrochloride
PubChem CID56594877
Molecular FormulaC27H30ClN3O3
Molecular Weight480.01 g/mol
Exact Mass479.20
IUPAC Name2-methoxy-6-[[3-[[7-(4-methoxyphenyl)quinolin-4-yl]amino]propylamino]methyl]phenol;hydrochloride
SMILESCOc1ccc(-c2ccc3c(NCCCNCc4cccc(OC)c4O)ccnc3c2)cc1.Cl
InChIInChI=1S/C27H29N3O3.ClH/c1-32-22-10-7-19(8-11-22)20-9-12-23-24(13-16-30-25(23)17-20)29-15-4-14-28-18-21-5-3-6-26(33-2)27(21)31;/h3,5-13,16-17,28,31H,4,14-15,18H2,1-2H3,(H,29,30);1H
InChIKeyRMTIQUSNLUFXTD-UHFFFAOYSA-N
XLogP5.64
TPSA75.64 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.01
LogP ≤ 55.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-methoxy-6-[[3-[[7-(4-methoxyphenyl)quinolin-4-yl]amino]propylamino]methyl]phenol;hydrochloride with MolForge

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Related Compounds

2-[[3-[[7-(4-fluorophenyl)quinolin-4-yl]amino]propylamino]methyl]-6-methoxyphenol;hydrochloride
CID 56595153
2-[[3-[[7-[(2,6-dichlorophenyl)methyl]quinolin-4-yl]amino]propylamino]methyl]-6-methoxyphenol
CID 162444675
4-[[4-[3-[(2-hydroxy-3-methoxyphenyl)methylamino]propylamino]quinolin-7-yl]methyl]benzonitrile;hydrochloride
CID 56595417
N-[(5-fluoro-2-methoxyphenyl)methyl]-N'-[7-(4-fluorophenyl)quinolin-4-yl]propane-1,3-diamine
CID 56594357
2-[[3-[[7-(cyclohexylmethyl)quinolin-4-yl]amino]propylamino]methyl]-6-methoxyphenol
CID 56594076
2-[[3-[(7-chloroquinolin-4-yl)amino]propylamino]methyl]-4-methoxyphenol
CID 46222242
N-[(5-fluoro-2-methoxyphenyl)methyl]-N'-(7-phenoxyquinolin-4-yl)propane-1,3-diamine;hydrochloride
CID 56595537
N-(furan-2-ylmethyl)-N'-[7-(4-methoxyphenoxy)quinolin-4-yl]propane-1,3-diamine;hydrochloride
CID 56595410
N'-(7-chloroquinolin-4-yl)-N-[[5-(4-methoxyphenyl)thiophen-2-yl]methyl]propane-1,3-diamine
CID 118728615
N,N'-bis(7-methoxyquinolin-4-yl)ethane-1,2-diamine
CID 118717457
N'-(7-chloroquinolin-4-yl)-N-[(4-methoxy-3-pyridinyl)methyl]propane-1,3-diamine
CID 71761858
6-[(7-methoxyquinolin-4-yl)amino]hexan-1-ol
CID 21424689

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-6-[[3-[[7-(4-methoxyphenyl)quinolin-4-yl]amino]propylamino]methyl]phenol;hydrochloride?
The IUPAC name of 2-methoxy-6-[[3-[[7-(4-methoxyphenyl)quinolin-4-yl]amino]propylamino]methyl]phenol;hydrochloride (CID 56594877) is 2-methoxy-6-[[3-[[7-(4-methoxyphenyl)quinolin-4-yl]amino]propylamino]methyl]phenol;hydrochloride.
What is the SMILES notation for 2-methoxy-6-[[3-[[7-(4-methoxyphenyl)quinolin-4-yl]amino]propylamino]methyl]phenol;hydrochloride?
The canonical SMILES for 2-methoxy-6-[[3-[[7-(4-methoxyphenyl)quinolin-4-yl]amino]propylamino]methyl]phenol;hydrochloride is COc1ccc(-c2ccc3c(NCCCNCc4cccc(OC)c4O)ccnc3c2)cc1.Cl.
What is the InChIKey of 2-methoxy-6-[[3-[[7-(4-methoxyphenyl)quinolin-4-yl]amino]propylamino]methyl]phenol;hydrochloride?
The InChIKey is RMTIQUSNLUFXTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N3O3.ClH/c1-32-22-10-7-19(8-11-22)20-9-12-23-24(13-16-30-25(23)17-20)29-15-4-14-28-18-21-5-3-6-26(33-2)27(21)31;/h3,5-13,16-17,28,31H,4,14-15,18H2,1-2H3,(H,29,30);1H.
What are the key properties of 2-methoxy-6-[[3-[[7-(4-methoxyphenyl)quinolin-4-yl]amino]propylamino]methyl]phenol;hydrochloride?
2-methoxy-6-[[3-[[7-(4-methoxyphenyl)quinolin-4-yl]amino]propylamino]methyl]phenol;hydrochloride has a molecular weight of 480.01 g/mol, XLogP of 5.64, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-6-[[3-[[7-(4-methoxyphenyl)quinolin-4-yl]amino]propylamino]methyl]phenol;hydrochloride is sourced from PubChem (CID 56594877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).