N-(3,4-dimethoxyphenyl)-7-pyridin-2-ylquinolin-4-amine;hydrochloride

C22H20ClN3O2 — CID 44532214

IUPACN-(3,4-dimethoxyphenyl)-7-pyridin-2-ylquinolin-4-amine;hydrochloride
SMILESCOc1ccc(Nc2ccnc3cc(-c4ccccn4)ccc23)cc1OC.Cl
InChIInChI=1S/C22H19N3O2.ClH/c1-26-21-9-7-16(14-22(21)27-2)25-19-10-12-24-20-13-15(6-8-17(19)20)18-5-3-4-11-23-18;/h3-14H,1-2H3,(H,24,25);1H
InChIKeyDSGJKSVGVCUQKS-UHFFFAOYSA-N
MW393.87 g/mol
LogP5.48
Rot. Bonds5

About N-(3,4-dimethoxyphenyl)-7-pyridin-2-ylquinolin-4-amine;hydrochloride

N-(3,4-dimethoxyphenyl)-7-pyridin-2-ylquinolin-4-amine;hydrochloride (PubChem CID 44532214) has the molecular formula C22H20ClN3O2 and a molecular weight of 393.87 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-7-pyridin-2-ylquinolin-4-amine;hydrochloride.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-7-pyridin-2-ylquinolin-4-amine;hydrochloride
PubChem CID44532214
Molecular FormulaC22H20ClN3O2
Molecular Weight393.87 g/mol
Exact Mass393.12
IUPAC NameN-(3,4-dimethoxyphenyl)-7-pyridin-2-ylquinolin-4-amine;hydrochloride
SMILESCOc1ccc(Nc2ccnc3cc(-c4ccccn4)ccc23)cc1OC.Cl
InChIInChI=1S/C22H19N3O2.ClH/c1-26-21-9-7-16(14-22(21)27-2)25-19-10-12-24-20-13-15(6-8-17(19)20)18-5-3-4-11-23-18;/h3-14H,1-2H3,(H,24,25);1H
InChIKeyDSGJKSVGVCUQKS-UHFFFAOYSA-N
XLogP5.48
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.87
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-7-pyridin-2-ylquinolin-4-amine;hydrochloride?
The IUPAC name of N-(3,4-dimethoxyphenyl)-7-pyridin-2-ylquinolin-4-amine;hydrochloride (CID 44532214) is N-(3,4-dimethoxyphenyl)-7-pyridin-2-ylquinolin-4-amine;hydrochloride.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-7-pyridin-2-ylquinolin-4-amine;hydrochloride?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-7-pyridin-2-ylquinolin-4-amine;hydrochloride is COc1ccc(Nc2ccnc3cc(-c4ccccn4)ccc23)cc1OC.Cl.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-7-pyridin-2-ylquinolin-4-amine;hydrochloride?
The InChIKey is DSGJKSVGVCUQKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O2.ClH/c1-26-21-9-7-16(14-22(21)27-2)25-19-10-12-24-20-13-15(6-8-17(19)20)18-5-3-4-11-23-18;/h3-14H,1-2H3,(H,24,25);1H.
What are the key properties of N-(3,4-dimethoxyphenyl)-7-pyridin-2-ylquinolin-4-amine;hydrochloride?
N-(3,4-dimethoxyphenyl)-7-pyridin-2-ylquinolin-4-amine;hydrochloride has a molecular weight of 393.87 g/mol, XLogP of 5.48, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-7-pyridin-2-ylquinolin-4-amine;hydrochloride is sourced from PubChem (CID 44532214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).