[3-[2-methyl-6-(5-methyl-1H-imidazol-2-yl)pyrimidin-4-yl]piperidin-1-yl]-quinolin-3-ylmethanone

C24H24N6O — CID 110110902

IUPAC[3-[2-methyl-6-(5-methyl-1H-imidazol-2-yl)pyrimidin-4-yl]piperidin-1-yl]-quinolin-3-ylmethanone
SMILESCc1nc(-c2ncc(C)[nH]2)cc(C2CCCN(C(=O)c3cnc4ccccc4c3)C2)n1
InChIInChI=1S/C24H24N6O/c1-15-12-26-23(27-15)22-11-21(28-16(2)29-22)18-7-5-9-30(14-18)24(31)19-10-17-6-3-4-8-20(17)25-13-19/h3-4,6,8,10-13,18H,5,7,9,14H2,1-2H3,(H,26,27)
InChIKeyWNUJQJLXDCZSGF-UHFFFAOYSA-N
MW412.50 g/mol
LogP4.05
Rot. Bonds3

About [3-[2-methyl-6-(5-methyl-1H-imidazol-2-yl)pyrimidin-4-yl]piperidin-1-yl]-quinolin-3-ylmethanone

[3-[2-methyl-6-(5-methyl-1H-imidazol-2-yl)pyrimidin-4-yl]piperidin-1-yl]-quinolin-3-ylmethanone (PubChem CID 110110902) has the molecular formula C24H24N6O and a molecular weight of 412.50 g/mol. Its IUPAC name is [3-[2-methyl-6-(5-methyl-1H-imidazol-2-yl)pyrimidin-4-yl]piperidin-1-yl]-quinolin-3-ylmethanone.

Molecular Properties

Compound Name[3-[2-methyl-6-(5-methyl-1H-imidazol-2-yl)pyrimidin-4-yl]piperidin-1-yl]-quinolin-3-ylmethanone
PubChem CID110110902
Molecular FormulaC24H24N6O
Molecular Weight412.50 g/mol
Exact Mass412.20
IUPAC Name[3-[2-methyl-6-(5-methyl-1H-imidazol-2-yl)pyrimidin-4-yl]piperidin-1-yl]-quinolin-3-ylmethanone
SMILESCc1nc(-c2ncc(C)[nH]2)cc(C2CCCN(C(=O)c3cnc4ccccc4c3)C2)n1
InChIInChI=1S/C24H24N6O/c1-15-12-26-23(27-15)22-11-21(28-16(2)29-22)18-7-5-9-30(14-18)24(31)19-10-17-6-3-4-8-20(17)25-13-19/h3-4,6,8,10-13,18H,5,7,9,14H2,1-2H3,(H,26,27)
InChIKeyWNUJQJLXDCZSGF-UHFFFAOYSA-N
XLogP4.05
TPSA87.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.50
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-[2-methyl-6-(5-methyl-1H-imidazol-2-yl)pyrimidin-4-yl]piperidin-1-yl]-quinolin-3-ylmethanone?
The IUPAC name of [3-[2-methyl-6-(5-methyl-1H-imidazol-2-yl)pyrimidin-4-yl]piperidin-1-yl]-quinolin-3-ylmethanone (CID 110110902) is [3-[2-methyl-6-(5-methyl-1H-imidazol-2-yl)pyrimidin-4-yl]piperidin-1-yl]-quinolin-3-ylmethanone.
What is the SMILES notation for [3-[2-methyl-6-(5-methyl-1H-imidazol-2-yl)pyrimidin-4-yl]piperidin-1-yl]-quinolin-3-ylmethanone?
The canonical SMILES for [3-[2-methyl-6-(5-methyl-1H-imidazol-2-yl)pyrimidin-4-yl]piperidin-1-yl]-quinolin-3-ylmethanone is Cc1nc(-c2ncc(C)[nH]2)cc(C2CCCN(C(=O)c3cnc4ccccc4c3)C2)n1.
What is the InChIKey of [3-[2-methyl-6-(5-methyl-1H-imidazol-2-yl)pyrimidin-4-yl]piperidin-1-yl]-quinolin-3-ylmethanone?
The InChIKey is WNUJQJLXDCZSGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N6O/c1-15-12-26-23(27-15)22-11-21(28-16(2)29-22)18-7-5-9-30(14-18)24(31)19-10-17-6-3-4-8-20(17)25-13-19/h3-4,6,8,10-13,18H,5,7,9,14H2,1-2H3,(H,26,27).
What are the key properties of [3-[2-methyl-6-(5-methyl-1H-imidazol-2-yl)pyrimidin-4-yl]piperidin-1-yl]-quinolin-3-ylmethanone?
[3-[2-methyl-6-(5-methyl-1H-imidazol-2-yl)pyrimidin-4-yl]piperidin-1-yl]-quinolin-3-ylmethanone has a molecular weight of 412.50 g/mol, XLogP of 4.05, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[2-methyl-6-(5-methyl-1H-imidazol-2-yl)pyrimidin-4-yl]piperidin-1-yl]-quinolin-3-ylmethanone is sourced from PubChem (CID 110110902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).