6,7-dimethoxy-N-(4-phenylmethoxyphenyl)quinolin-4-amine

C24H22N2O3 — CID 44523341

IUPAC6,7-dimethoxy-N-(4-phenylmethoxyphenyl)quinolin-4-amine
SMILESCOc1cc2nccc(Nc3ccc(OCc4ccccc4)cc3)c2cc1OC
InChIInChI=1S/C24H22N2O3/c1-27-23-14-20-21(12-13-25-22(20)15-24(23)28-2)26-18-8-10-19(11-9-18)29-16-17-6-4-3-5-7-17/h3-15H,16H2,1-2H3,(H,25,26)
InChIKeyJCEACJQBCOIQGR-UHFFFAOYSA-N
MW386.45 g/mol
LogP5.57
Rot. Bonds7

About 6,7-dimethoxy-N-(4-phenylmethoxyphenyl)quinolin-4-amine

6,7-dimethoxy-N-(4-phenylmethoxyphenyl)quinolin-4-amine (PubChem CID 44523341) has the molecular formula C24H22N2O3 and a molecular weight of 386.45 g/mol. Its IUPAC name is 6,7-dimethoxy-N-(4-phenylmethoxyphenyl)quinolin-4-amine.

Molecular Properties

Compound Name6,7-dimethoxy-N-(4-phenylmethoxyphenyl)quinolin-4-amine
PubChem CID44523341
Molecular FormulaC24H22N2O3
Molecular Weight386.45 g/mol
Exact Mass386.16
IUPAC Name6,7-dimethoxy-N-(4-phenylmethoxyphenyl)quinolin-4-amine
SMILESCOc1cc2nccc(Nc3ccc(OCc4ccccc4)cc3)c2cc1OC
InChIInChI=1S/C24H22N2O3/c1-27-23-14-20-21(12-13-25-22(20)15-24(23)28-2)26-18-8-10-19(11-9-18)29-16-17-6-4-3-5-7-17/h3-15H,16H2,1-2H3,(H,25,26)
InChIKeyJCEACJQBCOIQGR-UHFFFAOYSA-N
XLogP5.57
TPSA52.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.45
LogP ≤ 55.57
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-phenylmethoxyphenyl)quinolin-4-amine?
The IUPAC name of 6,7-dimethoxy-N-(4-phenylmethoxyphenyl)quinolin-4-amine (CID 44523341) is 6,7-dimethoxy-N-(4-phenylmethoxyphenyl)quinolin-4-amine.
What is the SMILES notation for 6,7-dimethoxy-N-(4-phenylmethoxyphenyl)quinolin-4-amine?
The canonical SMILES for 6,7-dimethoxy-N-(4-phenylmethoxyphenyl)quinolin-4-amine is COc1cc2nccc(Nc3ccc(OCc4ccccc4)cc3)c2cc1OC.
What is the InChIKey of 6,7-dimethoxy-N-(4-phenylmethoxyphenyl)quinolin-4-amine?
The InChIKey is JCEACJQBCOIQGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O3/c1-27-23-14-20-21(12-13-25-22(20)15-24(23)28-2)26-18-8-10-19(11-9-18)29-16-17-6-4-3-5-7-17/h3-15H,16H2,1-2H3,(H,25,26).
What are the key properties of 6,7-dimethoxy-N-(4-phenylmethoxyphenyl)quinolin-4-amine?
6,7-dimethoxy-N-(4-phenylmethoxyphenyl)quinolin-4-amine has a molecular weight of 386.45 g/mol, XLogP of 5.57, 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-phenylmethoxyphenyl)quinolin-4-amine is sourced from PubChem (CID 44523341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).