7,8-dichloro-N,N,2-trimethyl-3-(methylaminomethyl)quinolin-4-amine

C14H17Cl2N3 — CID 82251998

IUPAC7,8-dichloro-N,N,2-trimethyl-3-(methylaminomethyl)quinolin-4-amine
SMILESCNCc1c(C)nc2c(Cl)c(Cl)ccc2c1N(C)C
InChIInChI=1S/C14H17Cl2N3/c1-8-10(7-17-2)14(19(3)4)9-5-6-11(15)12(16)13(9)18-8/h5-6,17H,7H2,1-4H3
InChIKeyZMTXHKPLMRKWHY-UHFFFAOYSA-N
MW298.22 g/mol
LogP3.64
Rot. Bonds3

About 7,8-dichloro-N,N,2-trimethyl-3-(methylaminomethyl)quinolin-4-amine

7,8-dichloro-N,N,2-trimethyl-3-(methylaminomethyl)quinolin-4-amine (PubChem CID 82251998) has the molecular formula C14H17Cl2N3 and a molecular weight of 298.22 g/mol. Its IUPAC name is 7,8-dichloro-N,N,2-trimethyl-3-(methylaminomethyl)quinolin-4-amine.

Molecular Properties

Compound Name7,8-dichloro-N,N,2-trimethyl-3-(methylaminomethyl)quinolin-4-amine
PubChem CID82251998
Molecular FormulaC14H17Cl2N3
Molecular Weight298.22 g/mol
Exact Mass297.08
IUPAC Name7,8-dichloro-N,N,2-trimethyl-3-(methylaminomethyl)quinolin-4-amine
SMILESCNCc1c(C)nc2c(Cl)c(Cl)ccc2c1N(C)C
InChIInChI=1S/C14H17Cl2N3/c1-8-10(7-17-2)14(19(3)4)9-5-6-11(15)12(16)13(9)18-8/h5-6,17H,7H2,1-4H3
InChIKeyZMTXHKPLMRKWHY-UHFFFAOYSA-N
XLogP3.64
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.22
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7,8-dichloro-N,N-dimethyl-2-(methylaminomethyl)quinolin-4-amine
CID 82249628
7,8-dichloro-3-ethyl-2-methylquinolin-4-amine
CID 62203586
5,8-dimethoxy-N,N,2-trimethyl-3-(methylaminomethyl)quinolin-4-amine
CID 82250557
N,N,2,8-tetramethyl-3-[3-(methylamino)propyl]quinolin-4-amine
CID 82247606
2-[5,8-dichloro-4-(dimethylamino)-2-methylquinolin-3-yl]acetonitrile
CID 82251245
1-(2-tert-butyl-7,8-dichloroquinolin-4-yl)-N-methylmethanamine
CID 82449353
2-(aminomethyl)-7,8-dichloro-N,N-dimethylquinolin-4-amine
CID 82247413
N,N,2,6,8-pentamethyl-3-[2-(methylamino)ethyl]quinolin-4-amine
CID 82247605
3-(aminomethyl)-8-bromo-N,N,2-trimethylquinolin-4-amine
CID 82251255
1-[2-(4-chlorophenyl)-4,6-dimethylpyrimidin-5-yl]-N-methylmethanamine
CID 62745644
4,8-dichloro-2-methyl-3-prop-2-enylquinoline
CID 826047
1-(6-chloro-2,3-dimethylphenyl)-N-methylmethanamine
CID 84659371

Frequently Asked Questions

What is the IUPAC name of 7,8-dichloro-N,N,2-trimethyl-3-(methylaminomethyl)quinolin-4-amine?
The IUPAC name of 7,8-dichloro-N,N,2-trimethyl-3-(methylaminomethyl)quinolin-4-amine (CID 82251998) is 7,8-dichloro-N,N,2-trimethyl-3-(methylaminomethyl)quinolin-4-amine.
What is the SMILES notation for 7,8-dichloro-N,N,2-trimethyl-3-(methylaminomethyl)quinolin-4-amine?
The canonical SMILES for 7,8-dichloro-N,N,2-trimethyl-3-(methylaminomethyl)quinolin-4-amine is CNCc1c(C)nc2c(Cl)c(Cl)ccc2c1N(C)C.
What is the InChIKey of 7,8-dichloro-N,N,2-trimethyl-3-(methylaminomethyl)quinolin-4-amine?
The InChIKey is ZMTXHKPLMRKWHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17Cl2N3/c1-8-10(7-17-2)14(19(3)4)9-5-6-11(15)12(16)13(9)18-8/h5-6,17H,7H2,1-4H3.
What are the key properties of 7,8-dichloro-N,N,2-trimethyl-3-(methylaminomethyl)quinolin-4-amine?
7,8-dichloro-N,N,2-trimethyl-3-(methylaminomethyl)quinolin-4-amine has a molecular weight of 298.22 g/mol, XLogP of 3.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-dichloro-N,N,2-trimethyl-3-(methylaminomethyl)quinolin-4-amine is sourced from PubChem (CID 82251998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).