N,2-dimethyl-N-(3,4,5-trimethoxyphenyl)quinolin-4-amine

C20H22N2O3 — CID 155671687

IUPACN,2-dimethyl-N-(3,4,5-trimethoxyphenyl)quinolin-4-amine
SMILESCOc1cc(N(C)c2cc(C)nc3ccccc23)cc(OC)c1OC
InChIInChI=1S/C20H22N2O3/c1-13-10-17(15-8-6-7-9-16(15)21-13)22(2)14-11-18(23-3)20(25-5)19(12-14)24-4/h6-12H,1-5H3
InChIKeyNNAVUKUQDIPIEK-UHFFFAOYSA-N
MW338.41 g/mol
LogP4.34
Rot. Bonds5

About N,2-dimethyl-N-(3,4,5-trimethoxyphenyl)quinolin-4-amine

N,2-dimethyl-N-(3,4,5-trimethoxyphenyl)quinolin-4-amine (PubChem CID 155671687) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is N,2-dimethyl-N-(3,4,5-trimethoxyphenyl)quinolin-4-amine.

Molecular Properties

Compound NameN,2-dimethyl-N-(3,4,5-trimethoxyphenyl)quinolin-4-amine
PubChem CID155671687
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC NameN,2-dimethyl-N-(3,4,5-trimethoxyphenyl)quinolin-4-amine
SMILESCOc1cc(N(C)c2cc(C)nc3ccccc23)cc(OC)c1OC
InChIInChI=1S/C20H22N2O3/c1-13-10-17(15-8-6-7-9-16(15)21-13)22(2)14-11-18(23-3)20(25-5)19(12-14)24-4/h6-12H,1-5H3
InChIKeyNNAVUKUQDIPIEK-UHFFFAOYSA-N
XLogP4.34
TPSA43.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-N-(3,4,5-trimethoxyphenyl)quinolin-4-amine?
The IUPAC name of N,2-dimethyl-N-(3,4,5-trimethoxyphenyl)quinolin-4-amine (CID 155671687) is N,2-dimethyl-N-(3,4,5-trimethoxyphenyl)quinolin-4-amine.
What is the SMILES notation for N,2-dimethyl-N-(3,4,5-trimethoxyphenyl)quinolin-4-amine?
The canonical SMILES for N,2-dimethyl-N-(3,4,5-trimethoxyphenyl)quinolin-4-amine is COc1cc(N(C)c2cc(C)nc3ccccc23)cc(OC)c1OC.
What is the InChIKey of N,2-dimethyl-N-(3,4,5-trimethoxyphenyl)quinolin-4-amine?
The InChIKey is NNAVUKUQDIPIEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3/c1-13-10-17(15-8-6-7-9-16(15)21-13)22(2)14-11-18(23-3)20(25-5)19(12-14)24-4/h6-12H,1-5H3.
What are the key properties of N,2-dimethyl-N-(3,4,5-trimethoxyphenyl)quinolin-4-amine?
N,2-dimethyl-N-(3,4,5-trimethoxyphenyl)quinolin-4-amine has a molecular weight of 338.41 g/mol, XLogP of 4.34, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-N-(3,4,5-trimethoxyphenyl)quinolin-4-amine is sourced from PubChem (CID 155671687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).