3-[[(1-ethylpyrrolidin-2-yl)methylamino]methyl]-5,6,7-trimethoxy-N,N-dimethylquinolin-2-amine

C22H34N4O3 — CID 45167218

IUPAC3-[[(1-ethylpyrrolidin-2-yl)methylamino]methyl]-5,6,7-trimethoxy-N,N-dimethylquinolin-2-amine
SMILESCCN1CCCC1CNCc1cc2c(OC)c(OC)c(OC)cc2nc1N(C)C
InChIInChI=1S/C22H34N4O3/c1-7-26-10-8-9-16(26)14-23-13-15-11-17-18(24-22(15)25(2)3)12-19(27-4)21(29-6)20(17)28-5/h11-12,16,23H,7-10,13-14H2,1-6H3
InChIKeyISFVIWQJYCPGOA-UHFFFAOYSA-N
MW402.54 g/mol
LogP2.90
Rot. Bonds9

About 3-[[(1-ethylpyrrolidin-2-yl)methylamino]methyl]-5,6,7-trimethoxy-N,N-dimethylquinolin-2-amine

3-[[(1-ethylpyrrolidin-2-yl)methylamino]methyl]-5,6,7-trimethoxy-N,N-dimethylquinolin-2-amine (PubChem CID 45167218) has the molecular formula C22H34N4O3 and a molecular weight of 402.54 g/mol. Its IUPAC name is 3-[[(1-ethylpyrrolidin-2-yl)methylamino]methyl]-5,6,7-trimethoxy-N,N-dimethylquinolin-2-amine.

Molecular Properties

Compound Name3-[[(1-ethylpyrrolidin-2-yl)methylamino]methyl]-5,6,7-trimethoxy-N,N-dimethylquinolin-2-amine
PubChem CID45167218
Molecular FormulaC22H34N4O3
Molecular Weight402.54 g/mol
Exact Mass402.26
IUPAC Name3-[[(1-ethylpyrrolidin-2-yl)methylamino]methyl]-5,6,7-trimethoxy-N,N-dimethylquinolin-2-amine
SMILESCCN1CCCC1CNCc1cc2c(OC)c(OC)c(OC)cc2nc1N(C)C
InChIInChI=1S/C22H34N4O3/c1-7-26-10-8-9-16(26)14-23-13-15-11-17-18(24-22(15)25(2)3)12-19(27-4)21(29-6)20(17)28-5/h11-12,16,23H,7-10,13-14H2,1-6H3
InChIKeyISFVIWQJYCPGOA-UHFFFAOYSA-N
XLogP2.90
TPSA59.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.54
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[[(1-ethylpyrrolidin-2-yl)methylamino]methyl]-5,6,7-trimethoxy-N,N-dimethylquinolin-2-amine?
The IUPAC name of 3-[[(1-ethylpyrrolidin-2-yl)methylamino]methyl]-5,6,7-trimethoxy-N,N-dimethylquinolin-2-amine (CID 45167218) is 3-[[(1-ethylpyrrolidin-2-yl)methylamino]methyl]-5,6,7-trimethoxy-N,N-dimethylquinolin-2-amine.
What is the SMILES notation for 3-[[(1-ethylpyrrolidin-2-yl)methylamino]methyl]-5,6,7-trimethoxy-N,N-dimethylquinolin-2-amine?
The canonical SMILES for 3-[[(1-ethylpyrrolidin-2-yl)methylamino]methyl]-5,6,7-trimethoxy-N,N-dimethylquinolin-2-amine is CCN1CCCC1CNCc1cc2c(OC)c(OC)c(OC)cc2nc1N(C)C.
What is the InChIKey of 3-[[(1-ethylpyrrolidin-2-yl)methylamino]methyl]-5,6,7-trimethoxy-N,N-dimethylquinolin-2-amine?
The InChIKey is ISFVIWQJYCPGOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N4O3/c1-7-26-10-8-9-16(26)14-23-13-15-11-17-18(24-22(15)25(2)3)12-19(27-4)21(29-6)20(17)28-5/h11-12,16,23H,7-10,13-14H2,1-6H3.
What are the key properties of 3-[[(1-ethylpyrrolidin-2-yl)methylamino]methyl]-5,6,7-trimethoxy-N,N-dimethylquinolin-2-amine?
3-[[(1-ethylpyrrolidin-2-yl)methylamino]methyl]-5,6,7-trimethoxy-N,N-dimethylquinolin-2-amine has a molecular weight of 402.54 g/mol, XLogP of 2.90, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(1-ethylpyrrolidin-2-yl)methylamino]methyl]-5,6,7-trimethoxy-N,N-dimethylquinolin-2-amine is sourced from PubChem (CID 45167218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).