1-[6-ethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-[(3R)-oxolan-3-yl]piperidin-4-amine

C23H29N5O2 — CID 155515090

IUPAC1-[6-ethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-[(3R)-oxolan-3-yl]piperidin-4-amine
SMILESCCc1ccc2nc(N3CCC(N[C@@H]4CCOC4)CC3)c(-c3nc(C)no3)cc2c1
InChIInChI=1S/C23H29N5O2/c1-3-16-4-5-21-17(12-16)13-20(23-24-15(2)27-30-23)22(26-21)28-9-6-18(7-10-28)25-19-8-11-29-14-19/h4-5,12-13,18-19,25H,3,6-11,14H2,1-2H3/t19-/m1/s1
InChIKeyXCHRRQAQQMSBHL-LJQANCHMSA-N
MW407.52 g/mol
LogP3.50
Rot. Bonds5

About 1-[6-ethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-[(3R)-oxolan-3-yl]piperidin-4-amine

1-[6-ethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-[(3R)-oxolan-3-yl]piperidin-4-amine (PubChem CID 155515090) has the molecular formula C23H29N5O2 and a molecular weight of 407.52 g/mol. Its IUPAC name is 1-[6-ethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-[(3R)-oxolan-3-yl]piperidin-4-amine.

Molecular Properties

Compound Name1-[6-ethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-[(3R)-oxolan-3-yl]piperidin-4-amine
PubChem CID155515090
Molecular FormulaC23H29N5O2
Molecular Weight407.52 g/mol
Exact Mass407.23
IUPAC Name1-[6-ethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-[(3R)-oxolan-3-yl]piperidin-4-amine
SMILESCCc1ccc2nc(N3CCC(N[C@@H]4CCOC4)CC3)c(-c3nc(C)no3)cc2c1
InChIInChI=1S/C23H29N5O2/c1-3-16-4-5-21-17(12-16)13-20(23-24-15(2)27-30-23)22(26-21)28-9-6-18(7-10-28)25-19-8-11-29-14-19/h4-5,12-13,18-19,25H,3,6-11,14H2,1-2H3/t19-/m1/s1
InChIKeyXCHRRQAQQMSBHL-LJQANCHMSA-N
XLogP3.50
TPSA76.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.52
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[6-ethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-[(3R)-oxolan-3-yl]piperidin-4-amine?
The IUPAC name of 1-[6-ethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-[(3R)-oxolan-3-yl]piperidin-4-amine (CID 155515090) is 1-[6-ethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-[(3R)-oxolan-3-yl]piperidin-4-amine.
What is the SMILES notation for 1-[6-ethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-[(3R)-oxolan-3-yl]piperidin-4-amine?
The canonical SMILES for 1-[6-ethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-[(3R)-oxolan-3-yl]piperidin-4-amine is CCc1ccc2nc(N3CCC(N[C@@H]4CCOC4)CC3)c(-c3nc(C)no3)cc2c1.
What is the InChIKey of 1-[6-ethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-[(3R)-oxolan-3-yl]piperidin-4-amine?
The InChIKey is XCHRRQAQQMSBHL-LJQANCHMSA-N. The full InChI is InChI=1S/C23H29N5O2/c1-3-16-4-5-21-17(12-16)13-20(23-24-15(2)27-30-23)22(26-21)28-9-6-18(7-10-28)25-19-8-11-29-14-19/h4-5,12-13,18-19,25H,3,6-11,14H2,1-2H3/t19-/m1/s1.
What are the key properties of 1-[6-ethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-[(3R)-oxolan-3-yl]piperidin-4-amine?
1-[6-ethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-[(3R)-oxolan-3-yl]piperidin-4-amine has a molecular weight of 407.52 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-ethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-[(3R)-oxolan-3-yl]piperidin-4-amine is sourced from PubChem (CID 155515090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).