N-ethyl-8-(methoxymethyl)-3-propan-2-ylquinolin-2-amine

C16H22N2O — CID 55175771

IUPACN-ethyl-8-(methoxymethyl)-3-propan-2-ylquinolin-2-amine
SMILESCCNc1nc2c(COC)cccc2cc1C(C)C
InChIInChI=1S/C16H22N2O/c1-5-17-16-14(11(2)3)9-12-7-6-8-13(10-19-4)15(12)18-16/h6-9,11H,5,10H2,1-4H3,(H,17,18)
InChIKeySHQRWHZWGVDMGC-UHFFFAOYSA-N
MW258.36 g/mol
LogP3.94
Rot. Bonds5

About N-ethyl-8-(methoxymethyl)-3-propan-2-ylquinolin-2-amine

N-ethyl-8-(methoxymethyl)-3-propan-2-ylquinolin-2-amine (PubChem CID 55175771) has the molecular formula C16H22N2O and a molecular weight of 258.36 g/mol. Its IUPAC name is N-ethyl-8-(methoxymethyl)-3-propan-2-ylquinolin-2-amine.

Molecular Properties

Compound NameN-ethyl-8-(methoxymethyl)-3-propan-2-ylquinolin-2-amine
PubChem CID55175771
Molecular FormulaC16H22N2O
Molecular Weight258.36 g/mol
Exact Mass258.17
IUPAC NameN-ethyl-8-(methoxymethyl)-3-propan-2-ylquinolin-2-amine
SMILESCCNc1nc2c(COC)cccc2cc1C(C)C
InChIInChI=1S/C16H22N2O/c1-5-17-16-14(11(2)3)9-12-7-6-8-13(10-19-4)15(12)18-16/h6-9,11H,5,10H2,1-4H3,(H,17,18)
InChIKeySHQRWHZWGVDMGC-UHFFFAOYSA-N
XLogP3.94
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-8-(methoxymethyl)-3-propan-2-ylquinolin-2-amine?
The IUPAC name of N-ethyl-8-(methoxymethyl)-3-propan-2-ylquinolin-2-amine (CID 55175771) is N-ethyl-8-(methoxymethyl)-3-propan-2-ylquinolin-2-amine.
What is the SMILES notation for N-ethyl-8-(methoxymethyl)-3-propan-2-ylquinolin-2-amine?
The canonical SMILES for N-ethyl-8-(methoxymethyl)-3-propan-2-ylquinolin-2-amine is CCNc1nc2c(COC)cccc2cc1C(C)C.
What is the InChIKey of N-ethyl-8-(methoxymethyl)-3-propan-2-ylquinolin-2-amine?
The InChIKey is SHQRWHZWGVDMGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-5-17-16-14(11(2)3)9-12-7-6-8-13(10-19-4)15(12)18-16/h6-9,11H,5,10H2,1-4H3,(H,17,18).
What are the key properties of N-ethyl-8-(methoxymethyl)-3-propan-2-ylquinolin-2-amine?
N-ethyl-8-(methoxymethyl)-3-propan-2-ylquinolin-2-amine has a molecular weight of 258.36 g/mol, XLogP of 3.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-8-(methoxymethyl)-3-propan-2-ylquinolin-2-amine is sourced from PubChem (CID 55175771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).