5,8-dichloro-N,N-dimethyl-2-[2-(methylamino)ethyl]quinolin-4-amine

C14H17Cl2N3 — CID 82251986

IUPAC5,8-dichloro-N,N-dimethyl-2-[2-(methylamino)ethyl]quinolin-4-amine
SMILESCNCCc1cc(N(C)C)c2c(Cl)ccc(Cl)c2n1
InChIInChI=1S/C14H17Cl2N3/c1-17-7-6-9-8-12(19(2)3)13-10(15)4-5-11(16)14(13)18-9/h4-5,8,17H,6-7H2,1-3H3
InChIKeyQVDWUJJQZNMAIU-UHFFFAOYSA-N
MW298.22 g/mol
LogP3.37
Rot. Bonds4

About 5,8-dichloro-N,N-dimethyl-2-[2-(methylamino)ethyl]quinolin-4-amine

5,8-dichloro-N,N-dimethyl-2-[2-(methylamino)ethyl]quinolin-4-amine (PubChem CID 82251986) has the molecular formula C14H17Cl2N3 and a molecular weight of 298.22 g/mol. Its IUPAC name is 5,8-dichloro-N,N-dimethyl-2-[2-(methylamino)ethyl]quinolin-4-amine.

Molecular Properties

Compound Name5,8-dichloro-N,N-dimethyl-2-[2-(methylamino)ethyl]quinolin-4-amine
PubChem CID82251986
Molecular FormulaC14H17Cl2N3
Molecular Weight298.22 g/mol
Exact Mass297.08
IUPAC Name5,8-dichloro-N,N-dimethyl-2-[2-(methylamino)ethyl]quinolin-4-amine
SMILESCNCCc1cc(N(C)C)c2c(Cl)ccc(Cl)c2n1
InChIInChI=1S/C14H17Cl2N3/c1-17-7-6-9-8-12(19(2)3)13-10(15)4-5-11(16)14(13)18-9/h4-5,8,17H,6-7H2,1-3H3
InChIKeyQVDWUJJQZNMAIU-UHFFFAOYSA-N
XLogP3.37
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.22
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-N,N,8-trimethyl-2-[2-(methylamino)ethyl]quinolin-4-amine
CID 82248707
2-(8-chloro-4-methylquinolin-2-yl)-N-methylethanamine
CID 84627983
7,8-dichloro-N,N-dimethyl-2-(methylaminomethyl)quinolin-4-amine
CID 82249628
N,N-dimethyl-2-[2-(methylamino)ethyl]quinolin-6-amine
CID 82242740
5-chloro-4-(dimethylamino)-8-methylquinoline-2-carbonitrile
CID 82244207
2-(aminomethyl)-7,8-dichloro-N,N-dimethylquinolin-4-amine
CID 82247413
2-(2-aminoethyl)-6-chloro-8-methoxy-N,N,5-trimethylquinolin-4-amine
CID 82251230
5,8-dichloro-2-(methoxymethyl)-N-methylquinolin-4-amine
CID 62320073
5,8-dichloro-2-ethyl-N-propylquinolin-4-amine
CID 63480385
2-(5-chloro-4,8-dimethylquinolin-2-yl)ethanamine
CID 82575558
5,8-dichloro-N,2-diethylquinolin-4-amine
CID 63480217
2,5,8-trichloro-N,N-dimethylquinazolin-4-amine
CID 107051785

Frequently Asked Questions

What is the IUPAC name of 5,8-dichloro-N,N-dimethyl-2-[2-(methylamino)ethyl]quinolin-4-amine?
The IUPAC name of 5,8-dichloro-N,N-dimethyl-2-[2-(methylamino)ethyl]quinolin-4-amine (CID 82251986) is 5,8-dichloro-N,N-dimethyl-2-[2-(methylamino)ethyl]quinolin-4-amine.
What is the SMILES notation for 5,8-dichloro-N,N-dimethyl-2-[2-(methylamino)ethyl]quinolin-4-amine?
The canonical SMILES for 5,8-dichloro-N,N-dimethyl-2-[2-(methylamino)ethyl]quinolin-4-amine is CNCCc1cc(N(C)C)c2c(Cl)ccc(Cl)c2n1.
What is the InChIKey of 5,8-dichloro-N,N-dimethyl-2-[2-(methylamino)ethyl]quinolin-4-amine?
The InChIKey is QVDWUJJQZNMAIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17Cl2N3/c1-17-7-6-9-8-12(19(2)3)13-10(15)4-5-11(16)14(13)18-9/h4-5,8,17H,6-7H2,1-3H3.
What are the key properties of 5,8-dichloro-N,N-dimethyl-2-[2-(methylamino)ethyl]quinolin-4-amine?
5,8-dichloro-N,N-dimethyl-2-[2-(methylamino)ethyl]quinolin-4-amine has a molecular weight of 298.22 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,8-dichloro-N,N-dimethyl-2-[2-(methylamino)ethyl]quinolin-4-amine is sourced from PubChem (CID 82251986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).