6,7-dimethoxy-N-[4-[(4-methylphenyl)methoxy]phenyl]quinolin-4-amine

C25H24N2O3 — CID 155523048

IUPAC6,7-dimethoxy-N-[4-[(4-methylphenyl)methoxy]phenyl]quinolin-4-amine
SMILESCOc1cc2nccc(Nc3ccc(OCc4ccc(C)cc4)cc3)c2cc1OC
InChIInChI=1S/C25H24N2O3/c1-17-4-6-18(7-5-17)16-30-20-10-8-19(9-11-20)27-22-12-13-26-23-15-25(29-3)24(28-2)14-21(22)23/h4-15H,16H2,1-3H3,(H,26,27)
InChIKeyWJGLWXFZXKPJBV-UHFFFAOYSA-N
MW400.48 g/mol
LogP5.88
Rot. Bonds7

About 6,7-dimethoxy-N-[4-[(4-methylphenyl)methoxy]phenyl]quinolin-4-amine

6,7-dimethoxy-N-[4-[(4-methylphenyl)methoxy]phenyl]quinolin-4-amine (PubChem CID 155523048) has the molecular formula C25H24N2O3 and a molecular weight of 400.48 g/mol. Its IUPAC name is 6,7-dimethoxy-N-[4-[(4-methylphenyl)methoxy]phenyl]quinolin-4-amine.

Molecular Properties

Compound Name6,7-dimethoxy-N-[4-[(4-methylphenyl)methoxy]phenyl]quinolin-4-amine
PubChem CID155523048
Molecular FormulaC25H24N2O3
Molecular Weight400.48 g/mol
Exact Mass400.18
IUPAC Name6,7-dimethoxy-N-[4-[(4-methylphenyl)methoxy]phenyl]quinolin-4-amine
SMILESCOc1cc2nccc(Nc3ccc(OCc4ccc(C)cc4)cc3)c2cc1OC
InChIInChI=1S/C25H24N2O3/c1-17-4-6-18(7-5-17)16-30-20-10-8-19(9-11-20)27-22-12-13-26-23-15-25(29-3)24(28-2)14-21(22)23/h4-15H,16H2,1-3H3,(H,26,27)
InChIKeyWJGLWXFZXKPJBV-UHFFFAOYSA-N
XLogP5.88
TPSA52.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.48
LogP ≤ 55.88
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-[4-[(4-methylphenyl)methoxy]phenyl]quinolin-4-amine?
The IUPAC name of 6,7-dimethoxy-N-[4-[(4-methylphenyl)methoxy]phenyl]quinolin-4-amine (CID 155523048) is 6,7-dimethoxy-N-[4-[(4-methylphenyl)methoxy]phenyl]quinolin-4-amine.
What is the SMILES notation for 6,7-dimethoxy-N-[4-[(4-methylphenyl)methoxy]phenyl]quinolin-4-amine?
The canonical SMILES for 6,7-dimethoxy-N-[4-[(4-methylphenyl)methoxy]phenyl]quinolin-4-amine is COc1cc2nccc(Nc3ccc(OCc4ccc(C)cc4)cc3)c2cc1OC.
What is the InChIKey of 6,7-dimethoxy-N-[4-[(4-methylphenyl)methoxy]phenyl]quinolin-4-amine?
The InChIKey is WJGLWXFZXKPJBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O3/c1-17-4-6-18(7-5-17)16-30-20-10-8-19(9-11-20)27-22-12-13-26-23-15-25(29-3)24(28-2)14-21(22)23/h4-15H,16H2,1-3H3,(H,26,27).
What are the key properties of 6,7-dimethoxy-N-[4-[(4-methylphenyl)methoxy]phenyl]quinolin-4-amine?
6,7-dimethoxy-N-[4-[(4-methylphenyl)methoxy]phenyl]quinolin-4-amine has a molecular weight of 400.48 g/mol, XLogP of 5.88, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-N-[4-[(4-methylphenyl)methoxy]phenyl]quinolin-4-amine is sourced from PubChem (CID 155523048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).