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

C25H29N3O2 — CID 58548581

IUPACN-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]cyclohexyl]quinolin-2-amine
SMILESc1cnc(OC2CCC(Nc3ccc4ccccc4n3)CC2)c(C2CCOCC2)c1
InChIInChI=1S/C25H29N3O2/c1-2-6-23-19(4-1)7-12-24(28-23)27-20-8-10-21(11-9-20)30-25-22(5-3-15-26-25)18-13-16-29-17-14-18/h1-7,12,15,18,20-21H,8-11,13-14,16-17H2,(H,27,28)
InChIKeyHMSDHLOVHPXKJR-UHFFFAOYSA-N
MW403.53 g/mol
LogP5.33
Rot. Bonds5

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

N-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]cyclohexyl]quinolin-2-amine (PubChem CID 58548581) has the molecular formula C25H29N3O2 and a molecular weight of 403.53 g/mol. Its IUPAC name is N-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]cyclohexyl]quinolin-2-amine.

Molecular Properties

Compound NameN-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]cyclohexyl]quinolin-2-amine
PubChem CID58548581
Molecular FormulaC25H29N3O2
Molecular Weight403.53 g/mol
Exact Mass403.23
IUPAC NameN-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]cyclohexyl]quinolin-2-amine
SMILESc1cnc(OC2CCC(Nc3ccc4ccccc4n3)CC2)c(C2CCOCC2)c1
InChIInChI=1S/C25H29N3O2/c1-2-6-23-19(4-1)7-12-24(28-23)27-20-8-10-21(11-9-20)30-25-22(5-3-15-26-25)18-13-16-29-17-14-18/h1-7,12,15,18,20-21H,8-11,13-14,16-17H2,(H,27,28)
InChIKeyHMSDHLOVHPXKJR-UHFFFAOYSA-N
XLogP5.33
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.53
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]cyclohexyl]quinolin-2-amine?
The IUPAC name of N-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]cyclohexyl]quinolin-2-amine (CID 58548581) is N-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]cyclohexyl]quinolin-2-amine.
What is the SMILES notation for N-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]cyclohexyl]quinolin-2-amine?
The canonical SMILES for N-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]cyclohexyl]quinolin-2-amine is c1cnc(OC2CCC(Nc3ccc4ccccc4n3)CC2)c(C2CCOCC2)c1.
What is the InChIKey of N-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]cyclohexyl]quinolin-2-amine?
The InChIKey is HMSDHLOVHPXKJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O2/c1-2-6-23-19(4-1)7-12-24(28-23)27-20-8-10-21(11-9-20)30-25-22(5-3-15-26-25)18-13-16-29-17-14-18/h1-7,12,15,18,20-21H,8-11,13-14,16-17H2,(H,27,28).
What are the key properties of N-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]cyclohexyl]quinolin-2-amine?
N-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]cyclohexyl]quinolin-2-amine has a molecular weight of 403.53 g/mol, XLogP of 5.33, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]cyclohexyl]quinolin-2-amine is sourced from PubChem (CID 58548581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).