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

C23H29N5O — CID 155549973

IUPACN-(cyclopropylmethyl)-1-[6-ethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-amine
SMILESCCc1ccc2nc(N3CCC(NCC4CC4)CC3)c(-c3nc(C)no3)cc2c1
InChIInChI=1S/C23H29N5O/c1-3-16-6-7-21-18(12-16)13-20(23-25-15(2)27-29-23)22(26-21)28-10-8-19(9-11-28)24-14-17-4-5-17/h6-7,12-13,17,19,24H,3-5,8-11,14H2,1-2H3
InChIKeyGDYCGZVVAHAHGY-UHFFFAOYSA-N
MW391.52 g/mol
LogP4.12
Rot. Bonds6

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

N-(cyclopropylmethyl)-1-[6-ethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-amine (PubChem CID 155549973) has the molecular formula C23H29N5O and a molecular weight of 391.52 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-1-[6-ethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-amine.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-1-[6-ethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-amine
PubChem CID155549973
Molecular FormulaC23H29N5O
Molecular Weight391.52 g/mol
Exact Mass391.24
IUPAC NameN-(cyclopropylmethyl)-1-[6-ethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-amine
SMILESCCc1ccc2nc(N3CCC(NCC4CC4)CC3)c(-c3nc(C)no3)cc2c1
InChIInChI=1S/C23H29N5O/c1-3-16-6-7-21-18(12-16)13-20(23-25-15(2)27-29-23)22(26-21)28-10-8-19(9-11-28)24-14-17-4-5-17/h6-7,12-13,17,19,24H,3-5,8-11,14H2,1-2H3
InChIKeyGDYCGZVVAHAHGY-UHFFFAOYSA-N
XLogP4.12
TPSA67.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.52
LogP ≤ 54.12
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-ethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-amine?
The IUPAC name of N-(cyclopropylmethyl)-1-[6-ethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-amine (CID 155549973) is N-(cyclopropylmethyl)-1-[6-ethyl-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-ethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-amine?
The canonical SMILES for N-(cyclopropylmethyl)-1-[6-ethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-amine is CCc1ccc2nc(N3CCC(NCC4CC4)CC3)c(-c3nc(C)no3)cc2c1.
What is the InChIKey of N-(cyclopropylmethyl)-1-[6-ethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-amine?
The InChIKey is GDYCGZVVAHAHGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O/c1-3-16-6-7-21-18(12-16)13-20(23-25-15(2)27-29-23)22(26-21)28-10-8-19(9-11-28)24-14-17-4-5-17/h6-7,12-13,17,19,24H,3-5,8-11,14H2,1-2H3.
What are the key properties of N-(cyclopropylmethyl)-1-[6-ethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-amine?
N-(cyclopropylmethyl)-1-[6-ethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-amine has a molecular weight of 391.52 g/mol, XLogP of 4.12, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-1-[6-ethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-amine is sourced from PubChem (CID 155549973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).