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

C22H27N5O — CID 118264001

IUPACN-(cyclopropylmethyl)-1-[6-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-amine
SMILESCc1ccc2nc(N3CCC(NCC4CC4)CC3)c(-c3nc(C)no3)cc2c1
InChIInChI=1S/C22H27N5O/c1-14-3-6-20-17(11-14)12-19(22-24-15(2)26-28-22)21(25-20)27-9-7-18(8-10-27)23-13-16-4-5-16/h3,6,11-12,16,18,23H,4-5,7-10,13H2,1-2H3
InChIKeyIIVRURVOTPPDFG-UHFFFAOYSA-N
MW377.49 g/mol
LogP3.87
Rot. Bonds5

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

N-(cyclopropylmethyl)-1-[6-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-amine (PubChem CID 118264001) has the molecular formula C22H27N5O and a molecular weight of 377.49 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-1-[6-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-amine.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-1-[6-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-amine
PubChem CID118264001
Molecular FormulaC22H27N5O
Molecular Weight377.49 g/mol
Exact Mass377.22
IUPAC NameN-(cyclopropylmethyl)-1-[6-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-amine
SMILESCc1ccc2nc(N3CCC(NCC4CC4)CC3)c(-c3nc(C)no3)cc2c1
InChIInChI=1S/C22H27N5O/c1-14-3-6-20-17(11-14)12-19(22-24-15(2)26-28-22)21(25-20)27-9-7-18(8-10-27)23-13-16-4-5-16/h3,6,11-12,16,18,23H,4-5,7-10,13H2,1-2H3
InChIKeyIIVRURVOTPPDFG-UHFFFAOYSA-N
XLogP3.87
TPSA67.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-1-[6-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-amine?
The IUPAC name of N-(cyclopropylmethyl)-1-[6-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-amine (CID 118264001) is N-(cyclopropylmethyl)-1-[6-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-amine.
What is the SMILES notation for N-(cyclopropylmethyl)-1-[6-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-amine?
The canonical SMILES for N-(cyclopropylmethyl)-1-[6-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-amine is Cc1ccc2nc(N3CCC(NCC4CC4)CC3)c(-c3nc(C)no3)cc2c1.
What is the InChIKey of N-(cyclopropylmethyl)-1-[6-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-amine?
The InChIKey is IIVRURVOTPPDFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O/c1-14-3-6-20-17(11-14)12-19(22-24-15(2)26-28-22)21(25-20)27-9-7-18(8-10-27)23-13-16-4-5-16/h3,6,11-12,16,18,23H,4-5,7-10,13H2,1-2H3.
What are the key properties of N-(cyclopropylmethyl)-1-[6-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-amine?
N-(cyclopropylmethyl)-1-[6-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-amine has a molecular weight of 377.49 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-1-[6-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-amine is sourced from PubChem (CID 118264001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).