6,7-dimethoxy-N-(3-phenoxyphenyl)quinolin-4-amine;hydrochloride

C23H21ClN2O3 — CID 44531021

IUPAC6,7-dimethoxy-N-(3-phenoxyphenyl)quinolin-4-amine;hydrochloride
SMILESCOc1cc2nccc(Nc3cccc(Oc4ccccc4)c3)c2cc1OC.Cl
InChIInChI=1S/C23H20N2O3.ClH/c1-26-22-14-19-20(11-12-24-21(19)15-23(22)27-2)25-16-7-6-10-18(13-16)28-17-8-4-3-5-9-17;/h3-15H,1-2H3,(H,24,25);1H
InChIKeyJUBMXFSNRBUGQI-UHFFFAOYSA-N
MW408.89 g/mol
LogP6.21
Rot. Bonds6

About 6,7-dimethoxy-N-(3-phenoxyphenyl)quinolin-4-amine;hydrochloride

6,7-dimethoxy-N-(3-phenoxyphenyl)quinolin-4-amine;hydrochloride (PubChem CID 44531021) has the molecular formula C23H21ClN2O3 and a molecular weight of 408.89 g/mol. Its IUPAC name is 6,7-dimethoxy-N-(3-phenoxyphenyl)quinolin-4-amine;hydrochloride.

Molecular Properties

Compound Name6,7-dimethoxy-N-(3-phenoxyphenyl)quinolin-4-amine;hydrochloride
PubChem CID44531021
Molecular FormulaC23H21ClN2O3
Molecular Weight408.89 g/mol
Exact Mass408.12
IUPAC Name6,7-dimethoxy-N-(3-phenoxyphenyl)quinolin-4-amine;hydrochloride
SMILESCOc1cc2nccc(Nc3cccc(Oc4ccccc4)c3)c2cc1OC.Cl
InChIInChI=1S/C23H20N2O3.ClH/c1-26-22-14-19-20(11-12-24-21(19)15-23(22)27-2)25-16-7-6-10-18(13-16)28-17-8-4-3-5-9-17;/h3-15H,1-2H3,(H,24,25);1H
InChIKeyJUBMXFSNRBUGQI-UHFFFAOYSA-N
XLogP6.21
TPSA52.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.89
LogP ≤ 56.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-N-(3-phenoxyphenyl)quinolin-4-amine;hydrochloride?
The IUPAC name of 6,7-dimethoxy-N-(3-phenoxyphenyl)quinolin-4-amine;hydrochloride (CID 44531021) is 6,7-dimethoxy-N-(3-phenoxyphenyl)quinolin-4-amine;hydrochloride.
What is the SMILES notation for 6,7-dimethoxy-N-(3-phenoxyphenyl)quinolin-4-amine;hydrochloride?
The canonical SMILES for 6,7-dimethoxy-N-(3-phenoxyphenyl)quinolin-4-amine;hydrochloride is COc1cc2nccc(Nc3cccc(Oc4ccccc4)c3)c2cc1OC.Cl.
What is the InChIKey of 6,7-dimethoxy-N-(3-phenoxyphenyl)quinolin-4-amine;hydrochloride?
The InChIKey is JUBMXFSNRBUGQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O3.ClH/c1-26-22-14-19-20(11-12-24-21(19)15-23(22)27-2)25-16-7-6-10-18(13-16)28-17-8-4-3-5-9-17;/h3-15H,1-2H3,(H,24,25);1H.
What are the key properties of 6,7-dimethoxy-N-(3-phenoxyphenyl)quinolin-4-amine;hydrochloride?
6,7-dimethoxy-N-(3-phenoxyphenyl)quinolin-4-amine;hydrochloride has a molecular weight of 408.89 g/mol, XLogP of 6.21, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-N-(3-phenoxyphenyl)quinolin-4-amine;hydrochloride is sourced from PubChem (CID 44531021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).