[3-[[7-[3-(dimethylamino)propoxy]-6-methoxyquinolin-4-yl]amino]-2-ethylphenyl]methanol

C24H31N3O3 — CID 141057651

IUPAC[3-[[7-[3-(dimethylamino)propoxy]-6-methoxyquinolin-4-yl]amino]-2-ethylphenyl]methanol
SMILESCCc1c(CO)cccc1Nc1ccnc2cc(OCCCN(C)C)c(OC)cc12
InChIInChI=1S/C24H31N3O3/c1-5-18-17(16-28)8-6-9-20(18)26-21-10-11-25-22-15-24(23(29-4)14-19(21)22)30-13-7-12-27(2)3/h6,8-11,14-15,28H,5,7,12-13,16H2,1-4H3,(H,25,26)
InChIKeyLVAJJVFEDFBSAA-UHFFFAOYSA-N
MW409.53 g/mol
LogP4.37
Rot. Bonds10

About [3-[[7-[3-(dimethylamino)propoxy]-6-methoxyquinolin-4-yl]amino]-2-ethylphenyl]methanol

[3-[[7-[3-(dimethylamino)propoxy]-6-methoxyquinolin-4-yl]amino]-2-ethylphenyl]methanol (PubChem CID 141057651) has the molecular formula C24H31N3O3 and a molecular weight of 409.53 g/mol. Its IUPAC name is [3-[[7-[3-(dimethylamino)propoxy]-6-methoxyquinolin-4-yl]amino]-2-ethylphenyl]methanol.

Molecular Properties

Compound Name[3-[[7-[3-(dimethylamino)propoxy]-6-methoxyquinolin-4-yl]amino]-2-ethylphenyl]methanol
PubChem CID141057651
Molecular FormulaC24H31N3O3
Molecular Weight409.53 g/mol
Exact Mass409.24
IUPAC Name[3-[[7-[3-(dimethylamino)propoxy]-6-methoxyquinolin-4-yl]amino]-2-ethylphenyl]methanol
SMILESCCc1c(CO)cccc1Nc1ccnc2cc(OCCCN(C)C)c(OC)cc12
InChIInChI=1S/C24H31N3O3/c1-5-18-17(16-28)8-6-9-20(18)26-21-10-11-25-22-15-24(23(29-4)14-19(21)22)30-13-7-12-27(2)3/h6,8-11,14-15,28H,5,7,12-13,16H2,1-4H3,(H,25,26)
InChIKeyLVAJJVFEDFBSAA-UHFFFAOYSA-N
XLogP4.37
TPSA66.85 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.53
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze [3-[[7-[3-(dimethylamino)propoxy]-6-methoxyquinolin-4-yl]amino]-2-ethylphenyl]methanol with MolForge

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Related Compounds

6-[2-(dimethylamino)ethoxy]-4-[2-ethyl-3-(hydroxymethyl)anilino]-7-methoxyquinoline-3-carboxamide
CID 22170186
7-[3-(diethylamino)propoxy]-4-[2-ethyl-3-(hydroxymethyl)anilino]-6-methoxyquinoline-3-carboxamide
CID 22170238
N-[2-ethyl-3-[(2H-tetrazol-5-ylamino)methyl]phenyl]-6,7-dimethoxyquinolin-4-amine
CID 141124589
7-[3-(2-ethoxyethylamino)propoxy]-N-(2-ethylphenyl)-6-methoxyquinolin-4-amine
CID 141057646
4-[2-ethyl-3-(hydroxymethyl)anilino]-6-methoxy-7-[3-[propan-2-yl(propan-2-ylcarbamoyl)amino]propoxy]quinoline-3-carboxamide
CID 69239443
7-(3-cyanopropoxy)-4-[2-ethyl-3-(hydroxymethyl)anilino]-6-methoxyquinoline-3-carboxamide
CID 69238648
4-[2-ethyl-3-(hydroxymethyl)anilino]-6-methoxy-7-[3-(propylamino)propoxy]quinoline-3-carboxamide
CID 22170241
[2-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]methanol
CID 43471611
1-[2-[(6,7-dimethoxyquinolin-4-yl)amino]phenyl]ethanone
CID 53264744
N-(1H-indol-4-yl)-6,7-dimethoxyquinolin-4-amine
CID 139921584
3-(6-methoxyquinolin-7-yl)oxy-N,N-dimethylpropan-1-amine
CID 76540190
3-[(6,7-dimethoxyquinolin-4-yl)amino]phenol;hydrochloride
CID 22646651

Frequently Asked Questions

What is the IUPAC name of [3-[[7-[3-(dimethylamino)propoxy]-6-methoxyquinolin-4-yl]amino]-2-ethylphenyl]methanol?
The IUPAC name of [3-[[7-[3-(dimethylamino)propoxy]-6-methoxyquinolin-4-yl]amino]-2-ethylphenyl]methanol (CID 141057651) is [3-[[7-[3-(dimethylamino)propoxy]-6-methoxyquinolin-4-yl]amino]-2-ethylphenyl]methanol.
What is the SMILES notation for [3-[[7-[3-(dimethylamino)propoxy]-6-methoxyquinolin-4-yl]amino]-2-ethylphenyl]methanol?
The canonical SMILES for [3-[[7-[3-(dimethylamino)propoxy]-6-methoxyquinolin-4-yl]amino]-2-ethylphenyl]methanol is CCc1c(CO)cccc1Nc1ccnc2cc(OCCCN(C)C)c(OC)cc12.
What is the InChIKey of [3-[[7-[3-(dimethylamino)propoxy]-6-methoxyquinolin-4-yl]amino]-2-ethylphenyl]methanol?
The InChIKey is LVAJJVFEDFBSAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O3/c1-5-18-17(16-28)8-6-9-20(18)26-21-10-11-25-22-15-24(23(29-4)14-19(21)22)30-13-7-12-27(2)3/h6,8-11,14-15,28H,5,7,12-13,16H2,1-4H3,(H,25,26).
What are the key properties of [3-[[7-[3-(dimethylamino)propoxy]-6-methoxyquinolin-4-yl]amino]-2-ethylphenyl]methanol?
[3-[[7-[3-(dimethylamino)propoxy]-6-methoxyquinolin-4-yl]amino]-2-ethylphenyl]methanol has a molecular weight of 409.53 g/mol, XLogP of 4.37, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[7-[3-(dimethylamino)propoxy]-6-methoxyquinolin-4-yl]amino]-2-ethylphenyl]methanol is sourced from PubChem (CID 141057651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).