N-[3-[[3-(oxan-4-yl)-2-pyridinyl]oxy]cyclobutyl]quinolin-2-amine

C23H25N3O2 — CID 54760280

IUPACN-[3-[[3-(oxan-4-yl)-2-pyridinyl]oxy]cyclobutyl]quinolin-2-amine
SMILESc1cnc(OC2CC(Nc3ccc4ccccc4n3)C2)c(C2CCOCC2)c1
InChIInChI=1S/C23H25N3O2/c1-2-6-21-17(4-1)7-8-22(26-21)25-18-14-19(15-18)28-23-20(5-3-11-24-23)16-9-12-27-13-10-16/h1-8,11,16,18-19H,9-10,12-15H2,(H,25,26)
InChIKeyWMQSHTSQXBAWMU-UHFFFAOYSA-N
MW375.47 g/mol
LogP4.55
Rot. Bonds5

About N-[3-[[3-(oxan-4-yl)-2-pyridinyl]oxy]cyclobutyl]quinolin-2-amine

N-[3-[[3-(oxan-4-yl)-2-pyridinyl]oxy]cyclobutyl]quinolin-2-amine (PubChem CID 54760280) has the molecular formula C23H25N3O2 and a molecular weight of 375.47 g/mol. Its IUPAC name is N-[3-[[3-(oxan-4-yl)-2-pyridinyl]oxy]cyclobutyl]quinolin-2-amine.

Molecular Properties

Compound NameN-[3-[[3-(oxan-4-yl)-2-pyridinyl]oxy]cyclobutyl]quinolin-2-amine
PubChem CID54760280
Molecular FormulaC23H25N3O2
Molecular Weight375.47 g/mol
Exact Mass375.19
IUPAC NameN-[3-[[3-(oxan-4-yl)-2-pyridinyl]oxy]cyclobutyl]quinolin-2-amine
SMILESc1cnc(OC2CC(Nc3ccc4ccccc4n3)C2)c(C2CCOCC2)c1
InChIInChI=1S/C23H25N3O2/c1-2-6-21-17(4-1)7-8-22(26-21)25-18-14-19(15-18)28-23-20(5-3-11-24-23)16-9-12-27-13-10-16/h1-8,11,16,18-19H,9-10,12-15H2,(H,25,26)
InChIKeyWMQSHTSQXBAWMU-UHFFFAOYSA-N
XLogP4.55
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-[[3-(oxan-4-yl)-2-pyridinyl]oxy]cyclobutyl]quinolin-2-amine?
The IUPAC name of N-[3-[[3-(oxan-4-yl)-2-pyridinyl]oxy]cyclobutyl]quinolin-2-amine (CID 54760280) is N-[3-[[3-(oxan-4-yl)-2-pyridinyl]oxy]cyclobutyl]quinolin-2-amine.
What is the SMILES notation for N-[3-[[3-(oxan-4-yl)-2-pyridinyl]oxy]cyclobutyl]quinolin-2-amine?
The canonical SMILES for N-[3-[[3-(oxan-4-yl)-2-pyridinyl]oxy]cyclobutyl]quinolin-2-amine is c1cnc(OC2CC(Nc3ccc4ccccc4n3)C2)c(C2CCOCC2)c1.
What is the InChIKey of N-[3-[[3-(oxan-4-yl)-2-pyridinyl]oxy]cyclobutyl]quinolin-2-amine?
The InChIKey is WMQSHTSQXBAWMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O2/c1-2-6-21-17(4-1)7-8-22(26-21)25-18-14-19(15-18)28-23-20(5-3-11-24-23)16-9-12-27-13-10-16/h1-8,11,16,18-19H,9-10,12-15H2,(H,25,26).
What are the key properties of N-[3-[[3-(oxan-4-yl)-2-pyridinyl]oxy]cyclobutyl]quinolin-2-amine?
N-[3-[[3-(oxan-4-yl)-2-pyridinyl]oxy]cyclobutyl]quinolin-2-amine has a molecular weight of 375.47 g/mol, XLogP of 4.55, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[3-(oxan-4-yl)-2-pyridinyl]oxy]cyclobutyl]quinolin-2-amine is sourced from PubChem (CID 54760280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).