N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-quinolin-7-yloxypropan-1-amine;N-(6,7-dihydro-[1,3]dioxolo[4,5-g][1,4]benzodioxin-6-ylmethyl)-3-quinolin-5-yloxypropan-1-amine;N-(6,7-dihydro-[1,3]dioxolo[4,5-g][1,4]benzodioxin-6-ylmethyl)-3-quinolin-7-yloxypropan-1-amine;N-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-3-yl)methyl]-3-quinolin-7-yloxypropan-1-amine;3-[(3-quinolin-7-yloxypropylamino)methyl]-2,3-dihydro-1,4-benzodioxin-6-ol

C108H112N10O21 — CID 161193310

IUPACN-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-quinolin-7-yloxypropan-1-amine;N-(6,7-dihydro-[1,3]dioxolo[4,5-g][1,4]benzodioxin-6-ylmethyl)-3-quinolin-5-yloxypropan-1-amine;N-(6,7-dihydro-[1,3]dioxolo[4,5-g][1,4]benzodioxin-6-ylmethyl)-3-quinolin-7-yloxypropan-1-amine;N-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-3-yl)methyl]-3-quinolin-7-yloxypropan-1-amine;3-[(3-quinolin-7-yloxypropylamino)methyl]-2,3-dihydro-1,4-benzodioxin-6-ol
SMILESCOc1ccc2c(c1)OC(CNCCCOc1ccc3cccnc3c1)CO2.Oc1ccc2c(c1)OC(CNCCCOc1ccc3cccnc3c1)CO2.c1cc(OCCCNCC2COc3cc4c(cc3O2)OCO4)c2cccnc2c1.c1ccc2c(c1)OCC(CNCCCOc1ccc3cccnc3c1)O2.c1cnc2cc(OCCCNCC3COc4cc5c(cc4O3)OCO5)ccc2c1
InChIInChI=1S/2C22H22N2O5.C22H24N2O4.C21H22N2O4.C21H22N2O3/c1-5-17-16(4-2-8-24-17)18(6-1)25-9-3-7-23-12-15-13-26-21-10-19-20(28-14-27-19)11-22(21)29-15;1-3-15-4-5-16(9-18(15)24-7-1)25-8-2-6-23-12-17-13-26-21-10-19-20(28-14-27-19)11-22(21)29-17;1-25-17-7-8-21-22(13-17)28-19(15-27-21)14-23-9-3-11-26-18-6-5-16-4-2-10-24-20(16)12-18;24-16-5-7-20-21(11-16)27-18(14-26-20)13-22-8-2-10-25-17-6-4-15-3-1-9-23-19(15)12-17;1-2-7-21-20(6-1)25-15-18(26-21)14-22-10-4-12-24-17-9-8-16-5-3-11-23-19(16)13-17/h1-2,4-6,8,10-11,15,23H,3,7,9,12-14H2;1,3-5,7,9-11,17,23H,2,6,8,12-14H2;2,4-8,10,12-13,19,23H,3,9,11,14-15H2,1H3;1,3-7,9,11-12,18,22,24H,2,8,10,13-14H2;1-3,5-9,11,13,18,22H,4,10,12,14-15H2
InChIKeyUTZXRVNWZLBCCQ-UHFFFAOYSA-N
MW1886.13 g/mol
LogP16.34
Rot. Bonds36

About N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-quinolin-7-yloxypropan-1-amine;N-(6,7-dihydro-[1,3]dioxolo[4,5-g][1,4]benzodioxin-6-ylmethyl)-3-quinolin-5-yloxypropan-1-amine;N-(6,7-dihydro-[1,3]dioxolo[4,5-g][1,4]benzodioxin-6-ylmethyl)-3-quinolin-7-yloxypropan-1-amine;N-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-3-yl)methyl]-3-quinolin-7-yloxypropan-1-amine;3-[(3-quinolin-7-yloxypropylamino)methyl]-2,3-dihydro-1,4-benzodioxin-6-ol

N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-quinolin-7-yloxypropan-1-amine;N-(6,7-dihydro-[1,3]dioxolo[4,5-g][1,4]benzodioxin-6-ylmethyl)-3-quinolin-5-yloxypropan-1-amine;N-(6,7-dihydro-[1,3]dioxolo[4,5-g][1,4]benzodioxin-6-ylmethyl)-3-quinolin-7-yloxypropan-1-amine;N-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-3-yl)methyl]-3-quinolin-7-yloxypropan-1-amine;3-[(3-quinolin-7-yloxypropylamino)methyl]-2,3-dihydro-1,4-benzodioxin-6-ol (PubChem CID 161193310) has the molecular formula C108H112N10O21 and a molecular weight of 1886.13 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-quinolin-7-yloxypropan-1-amine;N-(6,7-dihydro-[1,3]dioxolo[4,5-g][1,4]benzodioxin-6-ylmethyl)-3-quinolin-5-yloxypropan-1-amine;N-(6,7-dihydro-[1,3]dioxolo[4,5-g][1,4]benzodioxin-6-ylmethyl)-3-quinolin-7-yloxypropan-1-amine;N-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-3-yl)methyl]-3-quinolin-7-yloxypropan-1-amine;3-[(3-quinolin-7-yloxypropylamino)methyl]-2,3-dihydro-1,4-benzodioxin-6-ol.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-quinolin-7-yloxypropan-1-amine;N-(6,7-dihydro-[1,3]dioxolo[4,5-g][1,4]benzodioxin-6-ylmethyl)-3-quinolin-5-yloxypropan-1-amine;N-(6,7-dihydro-[1,3]dioxolo[4,5-g][1,4]benzodioxin-6-ylmethyl)-3-quinolin-7-yloxypropan-1-amine;N-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-3-yl)methyl]-3-quinolin-7-yloxypropan-1-amine;3-[(3-quinolin-7-yloxypropylamino)methyl]-2,3-dihydro-1,4-benzodioxin-6-ol
PubChem CID161193310
Molecular FormulaC108H112N10O21
Molecular Weight1886.13 g/mol
Exact Mass1884.80
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-quinolin-7-yloxypropan-1-amine;N-(6,7-dihydro-[1,3]dioxolo[4,5-g][1,4]benzodioxin-6-ylmethyl)-3-quinolin-5-yloxypropan-1-amine;N-(6,7-dihydro-[1,3]dioxolo[4,5-g][1,4]benzodioxin-6-ylmethyl)-3-quinolin-7-yloxypropan-1-amine;N-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-3-yl)methyl]-3-quinolin-7-yloxypropan-1-amine;3-[(3-quinolin-7-yloxypropylamino)methyl]-2,3-dihydro-1,4-benzodioxin-6-ol
SMILESCOc1ccc2c(c1)OC(CNCCCOc1ccc3cccnc3c1)CO2.Oc1ccc2c(c1)OC(CNCCCOc1ccc3cccnc3c1)CO2.c1cc(OCCCNCC2COc3cc4c(cc3O2)OCO4)c2cccnc2c1.c1ccc2c(c1)OCC(CNCCCOc1ccc3cccnc3c1)O2.c1cnc2cc(OCCCNCC3COc4cc5c(cc4O3)OCO5)ccc2c1
InChIInChI=1S/2C22H22N2O5.C22H24N2O4.C21H22N2O4.C21H22N2O3/c1-5-17-16(4-2-8-24-17)18(6-1)25-9-3-7-23-12-15-13-26-21-10-19-20(28-14-27-19)11-22(21)29-15;1-3-15-4-5-16(9-18(15)24-7-1)25-8-2-6-23-12-17-13-26-21-10-19-20(28-14-27-19)11-22(21)29-17;1-25-17-7-8-21-22(13-17)28-19(15-27-21)14-23-9-3-11-26-18-6-5-16-4-2-10-24-20(16)12-18;24-16-5-7-20-21(11-16)27-18(14-26-20)13-22-8-2-10-25-17-6-4-15-3-1-9-23-19(15)12-17;1-2-7-21-20(6-1)25-15-18(26-21)14-22-10-4-12-24-17-9-8-16-5-3-11-23-19(16)13-17/h1-2,4-6,8,10-11,15,23H,3,7,9,12-14H2;1,3-5,7,9-11,17,23H,2,6,8,12-14H2;2,4-8,10,12-13,19,23H,3,9,11,14-15H2,1H3;1,3-7,9,11-12,18,22,24H,2,8,10,13-14H2;1-3,5-9,11,13,18,22H,4,10,12,14-15H2
InChIKeyUTZXRVNWZLBCCQ-UHFFFAOYSA-N
XLogP16.34
TPSA329.43 Ų
H-Bond Donors6
H-Bond Acceptors31
Rotatable Bonds36
Heavy Atoms139
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001886.13
LogP ≤ 516.34
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1031

Computed Properties (RDKit)

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

Analyze N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-quinolin-7-yloxypropan-1-amine;N-(6,7-dihydro-[1,3]dioxolo[4,5-g][1,4]benzodioxin-6-ylmethyl)-3-quinolin-5-yloxypropan-1-amine;N-(6,7-dihydro-[1,3]dioxolo[4,5-g][1,4]benzodioxin-6-ylmethyl)-3-quinolin-7-yloxypropan-1-amine;N-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-3-yl)methyl]-3-quinolin-7-yloxypropan-1-amine;3-[(3-quinolin-7-yloxypropylamino)methyl]-2,3-dihydro-1,4-benzodioxin-6-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

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Related Compounds

N-[3-(Quinolin-7-yloxy)propyl]-2,3-dihydro-6,7-methylenedioxy-1,4-benzodioxin-2-methanamine
CID 9930518
N-[3-(Quinolin-7-yloxy)propyl]-2,3-dihydro-7-hydroxy-1,4-benzodioxin-2-methanamine
CID 9969148
N-[3-(Quinolin-5-yloxy)propyl]-2,3-dihydro-6,7-methylenedioxy-1,4-benzodioxin-2-methanamine
CID 19745013
1-(6,7-dihydro-[1,3]dioxolo[4,5-g][1,4]benzodioxin-6-yl)-N-(quinolin-7-yloxymethyl)methanamine
CID 142188256
1,3-Difluoro-2-(3-methoxyphenoxy)-5-methylbenzene;5-(2,6-difluoro-4-methylphenoxy)-1,3-benzodioxole;7-(2,6-difluoro-4-methylphenoxy)quinoline;2-fluoro-1-(3-methoxyphenoxy)-4-methylbenzene;2-fluoro-4-methyl-1-phenoxybenzene;5-(2-fluoro-4-methylphenoxy)-1,3-benzodioxole;2-(4-fluorophenoxy)-5-methylpyridine;2-(3-fluorophenyl)-5-methylpyridine;5-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pyridine
CID 157564446
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-quinolin-7-yloxypropan-1-amine;N-(6,7-dihydro-[1,3]dioxolo[4,5-g][1,4]benzodioxin-6-ylmethyl)-3-quinolin-7-yloxypropan-1-amine
CID 158651950
N-(6,7-dihydro-[1,3]dioxolo[4,5-g][1,4]benzodioxin-6-ylmethyl)-3-quinolin-5-yloxypropan-1-amine;N-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-3-yl)methyl]-3-quinolin-7-yloxypropan-1-amine;3-[(3-quinolin-7-yloxypropylamino)methyl]-2,3-dihydro-1,4-benzodioxin-6-ol
CID 158839107
CID 158963397
CID 158963397
(2S)-2-amino-4-[[6-[(3-methylphenyl)methoxy]-1,3-benzodioxol-5-yl]methyl-[[2-[(3-methylphenyl)methoxy]phenyl]methyl]amino]butanoic acid;(2S)-2-amino-4-[[5-[(3-methylphenyl)methoxy]-2,3-dihydro-1-benzofuran-6-yl]methyl-[[2-[(3-methylphenyl)methoxy]phenyl]methyl]amino]butanoic acid;(2S)-2-amino-4-[[2-[(3-methylphenyl)methoxy]phenyl]methyl-[[7-[(3-methylphenyl)methoxy]quinolin-8-yl]methyl]amino]butanoic acid
CID 159078574
4-(3-methylbutoxy)-1,3-benzodioxole;6-(3-methylbutoxy)-3,4-dihydro-2H-1,5-benzodioxepine;5-(3-methylbutoxy)-2,3-dihydro-1,4-benzodioxine;7-(3-methylbutoxy)-2,3-dihydro-1-benzofuran;7-(3-methylbutoxy)-3,4-dihydro-2H-chromene;3-(3-methylbutoxy)quinoline;5-(3-methylbutoxy)quinoline;7-(3-methylbutoxy)quinoline;8-(3-methylbutoxy)-2,3,4,5-tetrahydro-1-benzoxepine
CID 159180503
2-(3,5-Diethoxy-2-methylphenyl)-1-methylquinolin-1-ium;2-(3,5-dimethoxy-2-methylphenyl)-1-methylquinolin-1-ium;2-methyl-1-(6-methyl-1,3-benzodioxol-5-yl)isoquinolin-2-ium;2-methyl-1-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)isoquinolin-2-ium;2-methyl-1-(2-methyl-3,5-diphenoxyphenyl)isoquinolin-2-ium;1-methyl-2-(2-methyl-3,5-dipropoxyphenyl)quinolin-1-ium
CID 160520727
4-(3,4-dihydro-2H-1,4-benzoxazin-7-yloxy)-7-methoxyquinolin-6-ol;7-(7-methoxy-6-phenylmethoxyquinolin-4-yl)oxy-3,4-dihydro-2H-1,4-benzoxazine
CID 161767370

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-quinolin-7-yloxypropan-1-amine;N-(6,7-dihydro-[1,3]dioxolo[4,5-g][1,4]benzodioxin-6-ylmethyl)-3-quinolin-5-yloxypropan-1-amine;N-(6,7-dihydro-[1,3]dioxolo[4,5-g][1,4]benzodioxin-6-ylmethyl)-3-quinolin-7-yloxypropan-1-amine;N-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-3-yl)methyl]-3-quinolin-7-yloxypropan-1-amine;3-[(3-quinolin-7-yloxypropylamino)methyl]-2,3-dihydro-1,4-benzodioxin-6-ol?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-quinolin-7-yloxypropan-1-amine;N-(6,7-dihydro-[1,3]dioxolo[4,5-g][1,4]benzodioxin-6-ylmethyl)-3-quinolin-5-yloxypropan-1-amine;N-(6,7-dihydro-[1,3]dioxolo[4,5-g][1,4]benzodioxin-6-ylmethyl)-3-quinolin-7-yloxypropan-1-amine;N-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-3-yl)methyl]-3-quinolin-7-yloxypropan-1-amine;3-[(3-quinolin-7-yloxypropylamino)methyl]-2,3-dihydro-1,4-benzodioxin-6-ol (CID 161193310) is N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-quinolin-7-yloxypropan-1-amine;N-(6,7-dihydro-[1,3]dioxolo[4,5-g][1,4]benzodioxin-6-ylmethyl)-3-quinolin-5-yloxypropan-1-amine;N-(6,7-dihydro-[1,3]dioxolo[4,5-g][1,4]benzodioxin-6-ylmethyl)-3-quinolin-7-yloxypropan-1-amine;N-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-3-yl)methyl]-3-quinolin-7-yloxypropan-1-amine;3-[(3-quinolin-7-yloxypropylamino)methyl]-2,3-dihydro-1,4-benzodioxin-6-ol.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-quinolin-7-yloxypropan-1-amine;N-(6,7-dihydro-[1,3]dioxolo[4,5-g][1,4]benzodioxin-6-ylmethyl)-3-quinolin-5-yloxypropan-1-amine;N-(6,7-dihydro-[1,3]dioxolo[4,5-g][1,4]benzodioxin-6-ylmethyl)-3-quinolin-7-yloxypropan-1-amine;N-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-3-yl)methyl]-3-quinolin-7-yloxypropan-1-amine;3-[(3-quinolin-7-yloxypropylamino)methyl]-2,3-dihydro-1,4-benzodioxin-6-ol?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-quinolin-7-yloxypropan-1-amine;N-(6,7-dihydro-[1,3]dioxolo[4,5-g][1,4]benzodioxin-6-ylmethyl)-3-quinolin-5-yloxypropan-1-amine;N-(6,7-dihydro-[1,3]dioxolo[4,5-g][1,4]benzodioxin-6-ylmethyl)-3-quinolin-7-yloxypropan-1-amine;N-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-3-yl)methyl]-3-quinolin-7-yloxypropan-1-amine;3-[(3-quinolin-7-yloxypropylamino)methyl]-2,3-dihydro-1,4-benzodioxin-6-ol is COc1ccc2c(c1)OC(CNCCCOc1ccc3cccnc3c1)CO2.Oc1ccc2c(c1)OC(CNCCCOc1ccc3cccnc3c1)CO2.c1cc(OCCCNCC2COc3cc4c(cc3O2)OCO4)c2cccnc2c1.c1ccc2c(c1)OCC(CNCCCOc1ccc3cccnc3c1)O2.c1cnc2cc(OCCCNCC3COc4cc5c(cc4O3)OCO5)ccc2c1.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-quinolin-7-yloxypropan-1-amine;N-(6,7-dihydro-[1,3]dioxolo[4,5-g][1,4]benzodioxin-6-ylmethyl)-3-quinolin-5-yloxypropan-1-amine;N-(6,7-dihydro-[1,3]dioxolo[4,5-g][1,4]benzodioxin-6-ylmethyl)-3-quinolin-7-yloxypropan-1-amine;N-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-3-yl)methyl]-3-quinolin-7-yloxypropan-1-amine;3-[(3-quinolin-7-yloxypropylamino)methyl]-2,3-dihydro-1,4-benzodioxin-6-ol?
The InChIKey is UTZXRVNWZLBCCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C22H22N2O5.C22H24N2O4.C21H22N2O4.C21H22N2O3/c1-5-17-16(4-2-8-24-17)18(6-1)25-9-3-7-23-12-15-13-26-21-10-19-20(28-14-27-19)11-22(21)29-15;1-3-15-4-5-16(9-18(15)24-7-1)25-8-2-6-23-12-17-13-26-21-10-19-20(28-14-27-19)11-22(21)29-17;1-25-17-7-8-21-22(13-17)28-19(15-27-21)14-23-9-3-11-26-18-6-5-16-4-2-10-24-20(16)12-18;24-16-5-7-20-21(11-16)27-18(14-26-20)13-22-8-2-10-25-17-6-4-15-3-1-9-23-19(15)12-17;1-2-7-21-20(6-1)25-15-18(26-21)14-22-10-4-12-24-17-9-8-16-5-3-11-23-19(16)13-17/h1-2,4-6,8,10-11,15,23H,3,7,9,12-14H2;1,3-5,7,9-11,17,23H,2,6,8,12-14H2;2,4-8,10,12-13,19,23H,3,9,11,14-15H2,1H3;1,3-7,9,11-12,18,22,24H,2,8,10,13-14H2;1-3,5-9,11,13,18,22H,4,10,12,14-15H2.
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-quinolin-7-yloxypropan-1-amine;N-(6,7-dihydro-[1,3]dioxolo[4,5-g][1,4]benzodioxin-6-ylmethyl)-3-quinolin-5-yloxypropan-1-amine;N-(6,7-dihydro-[1,3]dioxolo[4,5-g][1,4]benzodioxin-6-ylmethyl)-3-quinolin-7-yloxypropan-1-amine;N-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-3-yl)methyl]-3-quinolin-7-yloxypropan-1-amine;3-[(3-quinolin-7-yloxypropylamino)methyl]-2,3-dihydro-1,4-benzodioxin-6-ol?
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-quinolin-7-yloxypropan-1-amine;N-(6,7-dihydro-[1,3]dioxolo[4,5-g][1,4]benzodioxin-6-ylmethyl)-3-quinolin-5-yloxypropan-1-amine;N-(6,7-dihydro-[1,3]dioxolo[4,5-g][1,4]benzodioxin-6-ylmethyl)-3-quinolin-7-yloxypropan-1-amine;N-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-3-yl)methyl]-3-quinolin-7-yloxypropan-1-amine;3-[(3-quinolin-7-yloxypropylamino)methyl]-2,3-dihydro-1,4-benzodioxin-6-ol has a molecular weight of 1886.13 g/mol, XLogP of 16.34, 36 rotatable bonds, 6 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-quinolin-7-yloxypropan-1-amine;N-(6,7-dihydro-[1,3]dioxolo[4,5-g][1,4]benzodioxin-6-ylmethyl)-3-quinolin-5-yloxypropan-1-amine;N-(6,7-dihydro-[1,3]dioxolo[4,5-g][1,4]benzodioxin-6-ylmethyl)-3-quinolin-7-yloxypropan-1-amine;N-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-3-yl)methyl]-3-quinolin-7-yloxypropan-1-amine;3-[(3-quinolin-7-yloxypropylamino)methyl]-2,3-dihydro-1,4-benzodioxin-6-ol is sourced from PubChem (CID 161193310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).