N-[(6-bromoquinolin-4-yl)methyl]-1-(2,4-dimethoxyphenyl)-N-methylmethanamine

C20H21BrN2O2 — CID 178046475

IUPACN-[(6-bromoquinolin-4-yl)methyl]-1-(2,4-dimethoxyphenyl)-N-methylmethanamine
SMILESCOc1ccc(CN(C)Cc2ccnc3ccc(Br)cc23)c(OC)c1
InChIInChI=1S/C20H21BrN2O2/c1-23(13-15-4-6-17(24-2)11-20(15)25-3)12-14-8-9-22-19-7-5-16(21)10-18(14)19/h4-11H,12-13H2,1-3H3
InChIKeyTZHBAPRMGHESMS-UHFFFAOYSA-N
MW401.30 g/mol
LogP4.65
Rot. Bonds6

About N-[(6-bromoquinolin-4-yl)methyl]-1-(2,4-dimethoxyphenyl)-N-methylmethanamine

N-[(6-bromoquinolin-4-yl)methyl]-1-(2,4-dimethoxyphenyl)-N-methylmethanamine (PubChem CID 178046475) has the molecular formula C20H21BrN2O2 and a molecular weight of 401.30 g/mol. Its IUPAC name is N-[(6-bromoquinolin-4-yl)methyl]-1-(2,4-dimethoxyphenyl)-N-methylmethanamine.

Molecular Properties

Compound NameN-[(6-bromoquinolin-4-yl)methyl]-1-(2,4-dimethoxyphenyl)-N-methylmethanamine
PubChem CID178046475
Molecular FormulaC20H21BrN2O2
Molecular Weight401.30 g/mol
Exact Mass400.08
IUPAC NameN-[(6-bromoquinolin-4-yl)methyl]-1-(2,4-dimethoxyphenyl)-N-methylmethanamine
SMILESCOc1ccc(CN(C)Cc2ccnc3ccc(Br)cc23)c(OC)c1
InChIInChI=1S/C20H21BrN2O2/c1-23(13-15-4-6-17(24-2)11-20(15)25-3)12-14-8-9-22-19-7-5-16(21)10-18(14)19/h4-11H,12-13H2,1-3H3
InChIKeyTZHBAPRMGHESMS-UHFFFAOYSA-N
XLogP4.65
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.30
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-bromo-N-[(2,4-dimethoxyphenyl)methyl]quinazolin-4-amine
CID 67085882
4-bromo-N,N-bis[(2,4-dimethoxyphenyl)methyl]pyridine-2-sulfinamide
CID 178057473
N-[(2,4-dimethoxyphenyl)methyl]-2,2,2-trifluoro-N-methylethanamine
CID 115257937
1-(4-bromo-2-methoxyphenyl)-N,N-dimethylmethanamine
CID 117219351
2-[(2,4-dimethoxyphenyl)methyl-methylamino]acetic acid
CID 60712632
4-bromo-2-chloro-N-[(2,4-dimethoxyphenyl)methyl]-N-methylbenzenesulfonamide
CID 30329505
7-bromo-N-(2,4-dimethoxyphenyl)quinolin-4-amine
CID 50877851
(2S)-2-(2,4-dimethoxyphenyl)-2-[methyl(quinolin-4-ylmethyl)amino]acetic acid
CID 97197685
3-(6-methoxyquinolin-4-yl)propanal
CID 10751165
5-bromo-N-[(2,4-dimethoxyphenyl)methyl]-2-methoxyaniline
CID 61061133
1-(2,4-dimethoxyphenyl)-N-[[4-fluoro-5-(2-fluoro-3-pyridinyl)-1H-pyrrol-3-yl]methyl]-N-methylmethanamine
CID 67396635
2-(3-bromophenoxy)-N-[(2,4-dimethoxyphenyl)methyl]-N-methylacetamide
CID 7930574

Frequently Asked Questions

What is the IUPAC name of N-[(6-bromoquinolin-4-yl)methyl]-1-(2,4-dimethoxyphenyl)-N-methylmethanamine?
The IUPAC name of N-[(6-bromoquinolin-4-yl)methyl]-1-(2,4-dimethoxyphenyl)-N-methylmethanamine (CID 178046475) is N-[(6-bromoquinolin-4-yl)methyl]-1-(2,4-dimethoxyphenyl)-N-methylmethanamine.
What is the SMILES notation for N-[(6-bromoquinolin-4-yl)methyl]-1-(2,4-dimethoxyphenyl)-N-methylmethanamine?
The canonical SMILES for N-[(6-bromoquinolin-4-yl)methyl]-1-(2,4-dimethoxyphenyl)-N-methylmethanamine is COc1ccc(CN(C)Cc2ccnc3ccc(Br)cc23)c(OC)c1.
What is the InChIKey of N-[(6-bromoquinolin-4-yl)methyl]-1-(2,4-dimethoxyphenyl)-N-methylmethanamine?
The InChIKey is TZHBAPRMGHESMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21BrN2O2/c1-23(13-15-4-6-17(24-2)11-20(15)25-3)12-14-8-9-22-19-7-5-16(21)10-18(14)19/h4-11H,12-13H2,1-3H3.
What are the key properties of N-[(6-bromoquinolin-4-yl)methyl]-1-(2,4-dimethoxyphenyl)-N-methylmethanamine?
N-[(6-bromoquinolin-4-yl)methyl]-1-(2,4-dimethoxyphenyl)-N-methylmethanamine has a molecular weight of 401.30 g/mol, XLogP of 4.65, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-bromoquinolin-4-yl)methyl]-1-(2,4-dimethoxyphenyl)-N-methylmethanamine is sourced from PubChem (CID 178046475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).