1-(1,3-benzodioxol-5-yl)-N-[(6-bromoquinolin-8-yl)methyl]-N-methylmethanamine

C19H17BrN2O2 — CID 71880673

IUPAC1-(1,3-benzodioxol-5-yl)-N-[(6-bromoquinolin-8-yl)methyl]-N-methylmethanamine
SMILESCN(Cc1ccc2c(c1)OCO2)Cc1cc(Br)cc2cccnc12
InChIInChI=1S/C19H17BrN2O2/c1-22(10-13-4-5-17-18(7-13)24-12-23-17)11-15-9-16(20)8-14-3-2-6-21-19(14)15/h2-9H,10-12H2,1H3
InChIKeyVCNZEPQZQTWLAC-UHFFFAOYSA-N
MW385.26 g/mol
LogP4.36
Rot. Bonds4

About 1-(1,3-benzodioxol-5-yl)-N-[(6-bromoquinolin-8-yl)methyl]-N-methylmethanamine

1-(1,3-benzodioxol-5-yl)-N-[(6-bromoquinolin-8-yl)methyl]-N-methylmethanamine (PubChem CID 71880673) has the molecular formula C19H17BrN2O2 and a molecular weight of 385.26 g/mol. Its IUPAC name is 1-(1,3-benzodioxol-5-yl)-N-[(6-bromoquinolin-8-yl)methyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-(1,3-benzodioxol-5-yl)-N-[(6-bromoquinolin-8-yl)methyl]-N-methylmethanamine
PubChem CID71880673
Molecular FormulaC19H17BrN2O2
Molecular Weight385.26 g/mol
Exact Mass384.05
IUPAC Name1-(1,3-benzodioxol-5-yl)-N-[(6-bromoquinolin-8-yl)methyl]-N-methylmethanamine
SMILESCN(Cc1ccc2c(c1)OCO2)Cc1cc(Br)cc2cccnc12
InChIInChI=1S/C19H17BrN2O2/c1-22(10-13-4-5-17-18(7-13)24-12-23-17)11-15-9-16(20)8-14-3-2-6-21-19(14)15/h2-9H,10-12H2,1H3
InChIKeyVCNZEPQZQTWLAC-UHFFFAOYSA-N
XLogP4.36
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.26
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,4-dichlorophenyl)-N-methyl-N-(quinolin-8-ylmethyl)methanamine
CID 112809377
[1,3-benzodioxol-5-ylmethyl(methyl)amino]methanol
CID 115229115
N'-(1,3-benzodioxol-5-ylmethyl)-N'-methylmethanediamine
CID 115225852
N-(1,3-benzodioxol-5-ylmethyl)-2-quinolin-8-ylacetamide
CID 51306954
[4-[(6-bromoquinolin-8-yl)methyl]-2,3-dihydro-1,4-benzoxazin-7-yl]methanamine
CID 166362541
1-(1,3-benzodioxol-5-yl)-N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]methanamine
CID 8924238
1-(1,3-benzodioxol-5-yl)-N-[(2-chloro-4-fluorophenyl)methyl]-N-methylmethanamine
CID 47010663
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine
CID 70761731
N-(1,3-benzodioxol-5-ylmethyl)quinoline-8-sulfonamide
CID 2056026
6-bromo-8-[(3-methyloxetan-3-yl)methylsulfanylmethyl]quinoline
CID 167952288
3-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-N,N-dimethylbenzenesulfonamide
CID 34549500
1-[2-(1,3-benzodioxol-5-yl)ethyl]-3-(quinolin-8-ylmethyl)urea
CID 86864145

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzodioxol-5-yl)-N-[(6-bromoquinolin-8-yl)methyl]-N-methylmethanamine?
The IUPAC name of 1-(1,3-benzodioxol-5-yl)-N-[(6-bromoquinolin-8-yl)methyl]-N-methylmethanamine (CID 71880673) is 1-(1,3-benzodioxol-5-yl)-N-[(6-bromoquinolin-8-yl)methyl]-N-methylmethanamine.
What is the SMILES notation for 1-(1,3-benzodioxol-5-yl)-N-[(6-bromoquinolin-8-yl)methyl]-N-methylmethanamine?
The canonical SMILES for 1-(1,3-benzodioxol-5-yl)-N-[(6-bromoquinolin-8-yl)methyl]-N-methylmethanamine is CN(Cc1ccc2c(c1)OCO2)Cc1cc(Br)cc2cccnc12.
What is the InChIKey of 1-(1,3-benzodioxol-5-yl)-N-[(6-bromoquinolin-8-yl)methyl]-N-methylmethanamine?
The InChIKey is VCNZEPQZQTWLAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17BrN2O2/c1-22(10-13-4-5-17-18(7-13)24-12-23-17)11-15-9-16(20)8-14-3-2-6-21-19(14)15/h2-9H,10-12H2,1H3.
What are the key properties of 1-(1,3-benzodioxol-5-yl)-N-[(6-bromoquinolin-8-yl)methyl]-N-methylmethanamine?
1-(1,3-benzodioxol-5-yl)-N-[(6-bromoquinolin-8-yl)methyl]-N-methylmethanamine has a molecular weight of 385.26 g/mol, XLogP of 4.36, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzodioxol-5-yl)-N-[(6-bromoquinolin-8-yl)methyl]-N-methylmethanamine is sourced from PubChem (CID 71880673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).