7-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]quinolin-4-amine;hydrochloride

C19H20Cl2N2O2 — CID 44532614

IUPAC7-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]quinolin-4-amine;hydrochloride
SMILESCOc1ccc(CCNc2ccnc3cc(Cl)ccc23)cc1OC.Cl
InChIInChI=1S/C19H19ClN2O2.ClH/c1-23-18-6-3-13(11-19(18)24-2)7-9-21-16-8-10-22-17-12-14(20)4-5-15(16)17;/h3-6,8,10-12H,7,9H2,1-2H3,(H,21,22);1H
InChIKeyISUWHVBDMFNKML-UHFFFAOYSA-N
MW379.29 g/mol
LogP4.98
Rot. Bonds6

About 7-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]quinolin-4-amine;hydrochloride

7-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]quinolin-4-amine;hydrochloride (PubChem CID 44532614) has the molecular formula C19H20Cl2N2O2 and a molecular weight of 379.29 g/mol. Its IUPAC name is 7-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]quinolin-4-amine;hydrochloride.

Molecular Properties

Compound Name7-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]quinolin-4-amine;hydrochloride
PubChem CID44532614
Molecular FormulaC19H20Cl2N2O2
Molecular Weight379.29 g/mol
Exact Mass378.09
IUPAC Name7-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]quinolin-4-amine;hydrochloride
SMILESCOc1ccc(CCNc2ccnc3cc(Cl)ccc23)cc1OC.Cl
InChIInChI=1S/C19H19ClN2O2.ClH/c1-23-18-6-3-13(11-19(18)24-2)7-9-21-16-8-10-22-17-12-14(20)4-5-15(16)17;/h3-6,8,10-12H,7,9H2,1-2H3,(H,21,22);1H
InChIKeyISUWHVBDMFNKML-UHFFFAOYSA-N
XLogP4.98
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.29
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]quinolin-4-amine;hydrochloride?
The IUPAC name of 7-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]quinolin-4-amine;hydrochloride (CID 44532614) is 7-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]quinolin-4-amine;hydrochloride.
What is the SMILES notation for 7-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]quinolin-4-amine;hydrochloride?
The canonical SMILES for 7-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]quinolin-4-amine;hydrochloride is COc1ccc(CCNc2ccnc3cc(Cl)ccc23)cc1OC.Cl.
What is the InChIKey of 7-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]quinolin-4-amine;hydrochloride?
The InChIKey is ISUWHVBDMFNKML-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O2.ClH/c1-23-18-6-3-13(11-19(18)24-2)7-9-21-16-8-10-22-17-12-14(20)4-5-15(16)17;/h3-6,8,10-12H,7,9H2,1-2H3,(H,21,22);1H.
What are the key properties of 7-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]quinolin-4-amine;hydrochloride?
7-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]quinolin-4-amine;hydrochloride has a molecular weight of 379.29 g/mol, XLogP of 4.98, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]quinolin-4-amine;hydrochloride is sourced from PubChem (CID 44532614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).