N-(2,6-dichlorophenyl)-4-methoxy-N-methylquinolin-6-amine

C17H14Cl2N2O — CID 121005807

IUPACN-(2,6-dichlorophenyl)-4-methoxy-N-methylquinolin-6-amine
SMILESCOc1ccnc2ccc(N(C)c3c(Cl)cccc3Cl)cc12
InChIInChI=1S/C17H14Cl2N2O/c1-21(17-13(18)4-3-5-14(17)19)11-6-7-15-12(10-11)16(22-2)8-9-20-15/h3-10H,1-2H3
InChIKeyIQXIXPLQQDFASE-UHFFFAOYSA-N
MW333.22 g/mol
LogP5.32
Rot. Bonds3

About N-(2,6-dichlorophenyl)-4-methoxy-N-methylquinolin-6-amine

N-(2,6-dichlorophenyl)-4-methoxy-N-methylquinolin-6-amine (PubChem CID 121005807) has the molecular formula C17H14Cl2N2O and a molecular weight of 333.22 g/mol. Its IUPAC name is N-(2,6-dichlorophenyl)-4-methoxy-N-methylquinolin-6-amine.

Molecular Properties

Compound NameN-(2,6-dichlorophenyl)-4-methoxy-N-methylquinolin-6-amine
PubChem CID121005807
Molecular FormulaC17H14Cl2N2O
Molecular Weight333.22 g/mol
Exact Mass332.05
IUPAC NameN-(2,6-dichlorophenyl)-4-methoxy-N-methylquinolin-6-amine
SMILESCOc1ccnc2ccc(N(C)c3c(Cl)cccc3Cl)cc12
InChIInChI=1S/C17H14Cl2N2O/c1-21(17-13(18)4-3-5-14(17)19)11-6-7-15-12(10-11)16(22-2)8-9-20-15/h3-10H,1-2H3
InChIKeyIQXIXPLQQDFASE-UHFFFAOYSA-N
XLogP5.32
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.22
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-methoxy-N,N-dimethylquinolin-6-amine
CID 157042980
[6-(dimethylamino)quinolin-4-yl] N-methylcarbamate
CID 139034930
methane;4,6,7-trimethoxyquinoline
CID 157066291
4-methoxyquinoline;4-methylquinoline
CID 71009048
ethane;4-methoxy-6-(2-methyl-4-pyridinyl)quinoline
CID 143158004
4-methoxyquinoline-6-sulfonamide
CID 170007480
6-(4-methoxyquinolin-6-yl)-5-phenyl-1,2,4-triazin-3-amine
CID 135234314
4-methoxyquinolin-5-ol
CID 137240019
6-(2-ethyl-4-pyridinyl)-4-methoxyquinoline
CID 71064956
4-methoxyquinoline-8-carbaldehyde
CID 171397329
ethane;O-(6-methoxyquinolin-4-yl)hydroxylamine
CID 157043543
6-N,6-N-dimethylquinoline-4,6-diamine
CID 62190283

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dichlorophenyl)-4-methoxy-N-methylquinolin-6-amine?
The IUPAC name of N-(2,6-dichlorophenyl)-4-methoxy-N-methylquinolin-6-amine (CID 121005807) is N-(2,6-dichlorophenyl)-4-methoxy-N-methylquinolin-6-amine.
What is the SMILES notation for N-(2,6-dichlorophenyl)-4-methoxy-N-methylquinolin-6-amine?
The canonical SMILES for N-(2,6-dichlorophenyl)-4-methoxy-N-methylquinolin-6-amine is COc1ccnc2ccc(N(C)c3c(Cl)cccc3Cl)cc12.
What is the InChIKey of N-(2,6-dichlorophenyl)-4-methoxy-N-methylquinolin-6-amine?
The InChIKey is IQXIXPLQQDFASE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl2N2O/c1-21(17-13(18)4-3-5-14(17)19)11-6-7-15-12(10-11)16(22-2)8-9-20-15/h3-10H,1-2H3.
What are the key properties of N-(2,6-dichlorophenyl)-4-methoxy-N-methylquinolin-6-amine?
N-(2,6-dichlorophenyl)-4-methoxy-N-methylquinolin-6-amine has a molecular weight of 333.22 g/mol, XLogP of 5.32, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dichlorophenyl)-4-methoxy-N-methylquinolin-6-amine is sourced from PubChem (CID 121005807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).