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

C23H29N5O — CID 129252293

IUPACN-cyclopentyl-1-[6-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)quinolin-2-yl]piperidin-4-amine
SMILESCc1ccc2nc(N3CCC(NC4CCCC4)CC3)c(-c3noc(C)n3)cc2c1
InChIInChI=1S/C23H29N5O/c1-15-7-8-21-17(13-15)14-20(22-24-16(2)29-27-22)23(26-21)28-11-9-19(10-12-28)25-18-5-3-4-6-18/h7-8,13-14,18-19,25H,3-6,9-12H2,1-2H3
InChIKeyACEFGCIJTZPRJV-UHFFFAOYSA-N
MW391.52 g/mol
LogP4.40
Rot. Bonds4

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

N-cyclopentyl-1-[6-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)quinolin-2-yl]piperidin-4-amine (PubChem CID 129252293) has the molecular formula C23H29N5O and a molecular weight of 391.52 g/mol. Its IUPAC name is N-cyclopentyl-1-[6-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)quinolin-2-yl]piperidin-4-amine.

Molecular Properties

Compound NameN-cyclopentyl-1-[6-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)quinolin-2-yl]piperidin-4-amine
PubChem CID129252293
Molecular FormulaC23H29N5O
Molecular Weight391.52 g/mol
Exact Mass391.24
IUPAC NameN-cyclopentyl-1-[6-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)quinolin-2-yl]piperidin-4-amine
SMILESCc1ccc2nc(N3CCC(NC4CCCC4)CC3)c(-c3noc(C)n3)cc2c1
InChIInChI=1S/C23H29N5O/c1-15-7-8-21-17(13-15)14-20(22-24-16(2)29-27-22)23(26-21)28-11-9-19(10-12-28)25-18-5-3-4-6-18/h7-8,13-14,18-19,25H,3-6,9-12H2,1-2H3
InChIKeyACEFGCIJTZPRJV-UHFFFAOYSA-N
XLogP4.40
TPSA67.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.52
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-1-[6-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)quinolin-2-yl]piperidin-4-amine?
The IUPAC name of N-cyclopentyl-1-[6-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)quinolin-2-yl]piperidin-4-amine (CID 129252293) is N-cyclopentyl-1-[6-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)quinolin-2-yl]piperidin-4-amine.
What is the SMILES notation for N-cyclopentyl-1-[6-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)quinolin-2-yl]piperidin-4-amine?
The canonical SMILES for N-cyclopentyl-1-[6-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)quinolin-2-yl]piperidin-4-amine is Cc1ccc2nc(N3CCC(NC4CCCC4)CC3)c(-c3noc(C)n3)cc2c1.
What is the InChIKey of N-cyclopentyl-1-[6-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)quinolin-2-yl]piperidin-4-amine?
The InChIKey is ACEFGCIJTZPRJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O/c1-15-7-8-21-17(13-15)14-20(22-24-16(2)29-27-22)23(26-21)28-11-9-19(10-12-28)25-18-5-3-4-6-18/h7-8,13-14,18-19,25H,3-6,9-12H2,1-2H3.
What are the key properties of N-cyclopentyl-1-[6-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)quinolin-2-yl]piperidin-4-amine?
N-cyclopentyl-1-[6-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)quinolin-2-yl]piperidin-4-amine has a molecular weight of 391.52 g/mol, XLogP of 4.40, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-1-[6-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)quinolin-2-yl]piperidin-4-amine is sourced from PubChem (CID 129252293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).