N-(3-ethoxycyclobutyl)-8-methylquinolin-5-amine

C16H20N2O — CID 112573902

IUPACN-(3-ethoxycyclobutyl)-8-methylquinolin-5-amine
SMILESCCOC1CC(Nc2ccc(C)c3ncccc23)C1
InChIInChI=1S/C16H20N2O/c1-3-19-13-9-12(10-13)18-15-7-6-11(2)16-14(15)5-4-8-17-16/h4-8,12-13,18H,3,9-10H2,1-2H3
InChIKeyUCRMHFCYFITACS-UHFFFAOYSA-N
MW256.35 g/mol
LogP3.52
Rot. Bonds4

About N-(3-ethoxycyclobutyl)-8-methylquinolin-5-amine

N-(3-ethoxycyclobutyl)-8-methylquinolin-5-amine (PubChem CID 112573902) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is N-(3-ethoxycyclobutyl)-8-methylquinolin-5-amine.

Molecular Properties

Compound NameN-(3-ethoxycyclobutyl)-8-methylquinolin-5-amine
PubChem CID112573902
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC NameN-(3-ethoxycyclobutyl)-8-methylquinolin-5-amine
SMILESCCOC1CC(Nc2ccc(C)c3ncccc23)C1
InChIInChI=1S/C16H20N2O/c1-3-19-13-9-12(10-13)18-15-7-6-11(2)16-14(15)5-4-8-17-16/h4-8,12-13,18H,3,9-10H2,1-2H3
InChIKeyUCRMHFCYFITACS-UHFFFAOYSA-N
XLogP3.52
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxycyclobutyl)-8-methylquinolin-5-amine?
The IUPAC name of N-(3-ethoxycyclobutyl)-8-methylquinolin-5-amine (CID 112573902) is N-(3-ethoxycyclobutyl)-8-methylquinolin-5-amine.
What is the SMILES notation for N-(3-ethoxycyclobutyl)-8-methylquinolin-5-amine?
The canonical SMILES for N-(3-ethoxycyclobutyl)-8-methylquinolin-5-amine is CCOC1CC(Nc2ccc(C)c3ncccc23)C1.
What is the InChIKey of N-(3-ethoxycyclobutyl)-8-methylquinolin-5-amine?
The InChIKey is UCRMHFCYFITACS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-3-19-13-9-12(10-13)18-15-7-6-11(2)16-14(15)5-4-8-17-16/h4-8,12-13,18H,3,9-10H2,1-2H3.
What are the key properties of N-(3-ethoxycyclobutyl)-8-methylquinolin-5-amine?
N-(3-ethoxycyclobutyl)-8-methylquinolin-5-amine has a molecular weight of 256.35 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxycyclobutyl)-8-methylquinolin-5-amine is sourced from PubChem (CID 112573902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).