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

C22H23N7O — CID 118263822

IUPACN-[1-[6-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-yl]pyrimidin-2-amine
SMILESCc1ccc2nc(N3CCC(Nc4ncccn4)CC3)c(-c3nc(C)no3)cc2c1
InChIInChI=1S/C22H23N7O/c1-14-4-5-19-16(12-14)13-18(21-25-15(2)28-30-21)20(27-19)29-10-6-17(7-11-29)26-22-23-8-3-9-24-22/h3-5,8-9,12-13,17H,6-7,10-11H2,1-2H3,(H,23,24,26)
InChIKeyLZZYJIUFAFXRNG-UHFFFAOYSA-N
MW401.47 g/mol
LogP3.77
Rot. Bonds4

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

N-[1-[6-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-yl]pyrimidin-2-amine (PubChem CID 118263822) has the molecular formula C22H23N7O and a molecular weight of 401.47 g/mol. Its IUPAC name is N-[1-[6-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-yl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-[1-[6-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-yl]pyrimidin-2-amine
PubChem CID118263822
Molecular FormulaC22H23N7O
Molecular Weight401.47 g/mol
Exact Mass401.20
IUPAC NameN-[1-[6-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-yl]pyrimidin-2-amine
SMILESCc1ccc2nc(N3CCC(Nc4ncccn4)CC3)c(-c3nc(C)no3)cc2c1
InChIInChI=1S/C22H23N7O/c1-14-4-5-19-16(12-14)13-18(21-25-15(2)28-30-21)20(27-19)29-10-6-17(7-11-29)26-22-23-8-3-9-24-22/h3-5,8-9,12-13,17H,6-7,10-11H2,1-2H3,(H,23,24,26)
InChIKeyLZZYJIUFAFXRNG-UHFFFAOYSA-N
XLogP3.77
TPSA92.86 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[1-[6-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-yl]pyrimidin-2-amine?
The IUPAC name of N-[1-[6-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-yl]pyrimidin-2-amine (CID 118263822) is N-[1-[6-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-yl]pyrimidin-2-amine.
What is the SMILES notation for N-[1-[6-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-yl]pyrimidin-2-amine?
The canonical SMILES for N-[1-[6-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-yl]pyrimidin-2-amine is Cc1ccc2nc(N3CCC(Nc4ncccn4)CC3)c(-c3nc(C)no3)cc2c1.
What is the InChIKey of N-[1-[6-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-yl]pyrimidin-2-amine?
The InChIKey is LZZYJIUFAFXRNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N7O/c1-14-4-5-19-16(12-14)13-18(21-25-15(2)28-30-21)20(27-19)29-10-6-17(7-11-29)26-22-23-8-3-9-24-22/h3-5,8-9,12-13,17H,6-7,10-11H2,1-2H3,(H,23,24,26).
What are the key properties of N-[1-[6-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-yl]pyrimidin-2-amine?
N-[1-[6-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-yl]pyrimidin-2-amine has a molecular weight of 401.47 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[6-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-yl]pyrimidin-2-amine is sourced from PubChem (CID 118263822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).