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

C25H33N5O2 — CID 118263865

IUPAC(3S,4R)-N-cyclohexyl-3-methoxy-1-[6-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-amine
SMILESCO[C@H]1CN(c2nc3ccc(C)cc3cc2-c2nc(C)no2)CC[C@H]1NC1CCCCC1
InChIInChI=1S/C25H33N5O2/c1-16-9-10-21-18(13-16)14-20(25-26-17(2)29-32-25)24(28-21)30-12-11-22(23(15-30)31-3)27-19-7-5-4-6-8-19/h9-10,13-14,19,22-23,27H,4-8,11-12,15H2,1-3H3/t22-,23+/m1/s1
InChIKeyPGXSSLBJKPYNJE-PKTZIBPZSA-N
MW435.57 g/mol
LogP4.42
Rot. Bonds5

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

(3S,4R)-N-cyclohexyl-3-methoxy-1-[6-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-amine (PubChem CID 118263865) has the molecular formula C25H33N5O2 and a molecular weight of 435.57 g/mol. Its IUPAC name is (3S,4R)-N-cyclohexyl-3-methoxy-1-[6-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-amine.

Molecular Properties

Compound Name(3S,4R)-N-cyclohexyl-3-methoxy-1-[6-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-amine
PubChem CID118263865
Molecular FormulaC25H33N5O2
Molecular Weight435.57 g/mol
Exact Mass435.26
IUPAC Name(3S,4R)-N-cyclohexyl-3-methoxy-1-[6-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-amine
SMILESCO[C@H]1CN(c2nc3ccc(C)cc3cc2-c2nc(C)no2)CC[C@H]1NC1CCCCC1
InChIInChI=1S/C25H33N5O2/c1-16-9-10-21-18(13-16)14-20(25-26-17(2)29-32-25)24(28-21)30-12-11-22(23(15-30)31-3)27-19-7-5-4-6-8-19/h9-10,13-14,19,22-23,27H,4-8,11-12,15H2,1-3H3/t22-,23+/m1/s1
InChIKeyPGXSSLBJKPYNJE-PKTZIBPZSA-N
XLogP4.42
TPSA76.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.57
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (3S,4R)-N-cyclohexyl-3-methoxy-1-[6-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-amine?
The IUPAC name of (3S,4R)-N-cyclohexyl-3-methoxy-1-[6-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-amine (CID 118263865) is (3S,4R)-N-cyclohexyl-3-methoxy-1-[6-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-amine.
What is the SMILES notation for (3S,4R)-N-cyclohexyl-3-methoxy-1-[6-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-amine?
The canonical SMILES for (3S,4R)-N-cyclohexyl-3-methoxy-1-[6-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-amine is CO[C@H]1CN(c2nc3ccc(C)cc3cc2-c2nc(C)no2)CC[C@H]1NC1CCCCC1.
What is the InChIKey of (3S,4R)-N-cyclohexyl-3-methoxy-1-[6-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-amine?
The InChIKey is PGXSSLBJKPYNJE-PKTZIBPZSA-N. The full InChI is InChI=1S/C25H33N5O2/c1-16-9-10-21-18(13-16)14-20(25-26-17(2)29-32-25)24(28-21)30-12-11-22(23(15-30)31-3)27-19-7-5-4-6-8-19/h9-10,13-14,19,22-23,27H,4-8,11-12,15H2,1-3H3/t22-,23+/m1/s1.
What are the key properties of (3S,4R)-N-cyclohexyl-3-methoxy-1-[6-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-amine?
(3S,4R)-N-cyclohexyl-3-methoxy-1-[6-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-amine has a molecular weight of 435.57 g/mol, XLogP of 4.42, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-N-cyclohexyl-3-methoxy-1-[6-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-amine is sourced from PubChem (CID 118263865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).