7-methoxy-N-(3,4,5-trimethoxyphenyl)quinolin-4-amine

C19H20N2O4 — CID 50877923

IUPAC7-methoxy-N-(3,4,5-trimethoxyphenyl)quinolin-4-amine
SMILESCOc1ccc2c(Nc3cc(OC)c(OC)c(OC)c3)ccnc2c1
InChIInChI=1S/C19H20N2O4/c1-22-13-5-6-14-15(7-8-20-16(14)11-13)21-12-9-17(23-2)19(25-4)18(10-12)24-3/h5-11H,1-4H3,(H,20,21)
InChIKeyGRKVQPWSPUXGKV-UHFFFAOYSA-N
MW340.38 g/mol
LogP4.01
Rot. Bonds6

About 7-methoxy-N-(3,4,5-trimethoxyphenyl)quinolin-4-amine

7-methoxy-N-(3,4,5-trimethoxyphenyl)quinolin-4-amine (PubChem CID 50877923) has the molecular formula C19H20N2O4 and a molecular weight of 340.38 g/mol. Its IUPAC name is 7-methoxy-N-(3,4,5-trimethoxyphenyl)quinolin-4-amine.

Molecular Properties

Compound Name7-methoxy-N-(3,4,5-trimethoxyphenyl)quinolin-4-amine
PubChem CID50877923
Molecular FormulaC19H20N2O4
Molecular Weight340.38 g/mol
Exact Mass340.14
IUPAC Name7-methoxy-N-(3,4,5-trimethoxyphenyl)quinolin-4-amine
SMILESCOc1ccc2c(Nc3cc(OC)c(OC)c(OC)c3)ccnc2c1
InChIInChI=1S/C19H20N2O4/c1-22-13-5-6-14-15(7-8-20-16(14)11-13)21-12-9-17(23-2)19(25-4)18(10-12)24-3/h5-11H,1-4H3,(H,20,21)
InChIKeyGRKVQPWSPUXGKV-UHFFFAOYSA-N
XLogP4.01
TPSA61.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-N-(3,4,5-trimethoxyphenyl)quinolin-4-amine?
The IUPAC name of 7-methoxy-N-(3,4,5-trimethoxyphenyl)quinolin-4-amine (CID 50877923) is 7-methoxy-N-(3,4,5-trimethoxyphenyl)quinolin-4-amine.
What is the SMILES notation for 7-methoxy-N-(3,4,5-trimethoxyphenyl)quinolin-4-amine?
The canonical SMILES for 7-methoxy-N-(3,4,5-trimethoxyphenyl)quinolin-4-amine is COc1ccc2c(Nc3cc(OC)c(OC)c(OC)c3)ccnc2c1.
What is the InChIKey of 7-methoxy-N-(3,4,5-trimethoxyphenyl)quinolin-4-amine?
The InChIKey is GRKVQPWSPUXGKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4/c1-22-13-5-6-14-15(7-8-20-16(14)11-13)21-12-9-17(23-2)19(25-4)18(10-12)24-3/h5-11H,1-4H3,(H,20,21).
What are the key properties of 7-methoxy-N-(3,4,5-trimethoxyphenyl)quinolin-4-amine?
7-methoxy-N-(3,4,5-trimethoxyphenyl)quinolin-4-amine has a molecular weight of 340.38 g/mol, XLogP of 4.01, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-N-(3,4,5-trimethoxyphenyl)quinolin-4-amine is sourced from PubChem (CID 50877923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).