N-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-3-yl)methyl]-1-quinolin-7-yloxyethanamine

C21H22N2O4 — CID 142188251

IUPACN-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-3-yl)methyl]-1-quinolin-7-yloxyethanamine
SMILESCOc1ccc2c(c1)OC(CNC(C)Oc1ccc3cccnc3c1)CO2
InChIInChI=1S/C21H22N2O4/c1-14(26-17-6-5-15-4-3-9-22-19(15)10-17)23-12-18-13-25-20-8-7-16(24-2)11-21(20)27-18/h3-11,14,18,23H,12-13H2,1-2H3
InChIKeyOWEFJOQEJSKYHQ-UHFFFAOYSA-N
MW366.42 g/mol
LogP3.40
Rot. Bonds6

About N-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-3-yl)methyl]-1-quinolin-7-yloxyethanamine

N-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-3-yl)methyl]-1-quinolin-7-yloxyethanamine (PubChem CID 142188251) has the molecular formula C21H22N2O4 and a molecular weight of 366.42 g/mol. Its IUPAC name is N-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-3-yl)methyl]-1-quinolin-7-yloxyethanamine.

Molecular Properties

Compound NameN-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-3-yl)methyl]-1-quinolin-7-yloxyethanamine
PubChem CID142188251
Molecular FormulaC21H22N2O4
Molecular Weight366.42 g/mol
Exact Mass366.16
IUPAC NameN-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-3-yl)methyl]-1-quinolin-7-yloxyethanamine
SMILESCOc1ccc2c(c1)OC(CNC(C)Oc1ccc3cccnc3c1)CO2
InChIInChI=1S/C21H22N2O4/c1-14(26-17-6-5-15-4-3-9-22-19(15)10-17)23-12-18-13-25-20-8-7-16(24-2)11-21(20)27-18/h3-11,14,18,23H,12-13H2,1-2H3
InChIKeyOWEFJOQEJSKYHQ-UHFFFAOYSA-N
XLogP3.40
TPSA61.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze N-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-3-yl)methyl]-1-quinolin-7-yloxyethanamine with MolForge

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Related Compounds

Ki-23057
CID 9850161
6,7-Dimethoxy-4-[(3,4,5-trimethoxyphenyl)amino]quinoline-3-carbonitrile
CID 5330468
6-Methoxy-7-[(1-methylpiperidin-4-yl)methoxy]-4-[(3,4,5-trimethoxyphenyl)amino]quinoline-3-carbonitrile
CID 5330088
6,7-Bis(2-methoxyethoxy)-4-[(3,4,5-trimethoxyphenyl)amino]quinoline-3-carbonitrile
CID 5330109
6-Methoxy-7-(2-methoxyethoxy)-4-[(3,4,5-trimethoxyphenyl)amino]quinoline-3-carbonitrile
CID 5330112
6,7-Dimethoxy-4-(3,4-dimethoxyphenoxy)quinoline
CID 9927943
3-Benzyloxy-6,7-dimethoxy-quinoline
CID 10085863
6,7-Dimethoxy-4-phenoxy-quinoline
CID 13085778
6,7-Dimethoxy-4-(3-methoxyphenoxy)quinoline
CID 22132666
N-{4-[(6,7-Dimethoxy-4-quinolyl)oxy]phenyl}-N'-(3-methylphenyl)urea
CID 11212549
7-(6,7-dimethoxyquinolin-4-yl)oxy-N-(3-methylphenyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide
CID 11213588
1-[4-(6,7-Dimethoxy-quinolin-4-yloxy)-phenyl]-3-(2-methoxy-phenyl)-urea
CID 11224592

Frequently Asked Questions

What is the IUPAC name of N-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-3-yl)methyl]-1-quinolin-7-yloxyethanamine?
The IUPAC name of N-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-3-yl)methyl]-1-quinolin-7-yloxyethanamine (CID 142188251) is N-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-3-yl)methyl]-1-quinolin-7-yloxyethanamine.
What is the SMILES notation for N-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-3-yl)methyl]-1-quinolin-7-yloxyethanamine?
The canonical SMILES for N-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-3-yl)methyl]-1-quinolin-7-yloxyethanamine is COc1ccc2c(c1)OC(CNC(C)Oc1ccc3cccnc3c1)CO2.
What is the InChIKey of N-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-3-yl)methyl]-1-quinolin-7-yloxyethanamine?
The InChIKey is OWEFJOQEJSKYHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O4/c1-14(26-17-6-5-15-4-3-9-22-19(15)10-17)23-12-18-13-25-20-8-7-16(24-2)11-21(20)27-18/h3-11,14,18,23H,12-13H2,1-2H3.
What are the key properties of N-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-3-yl)methyl]-1-quinolin-7-yloxyethanamine?
N-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-3-yl)methyl]-1-quinolin-7-yloxyethanamine has a molecular weight of 366.42 g/mol, XLogP of 3.40, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-3-yl)methyl]-1-quinolin-7-yloxyethanamine is sourced from PubChem (CID 142188251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).