[(2R)-piperidin-2-yl]methyl 2-[6-[5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinolin-3-yl]pyridine-4-carboxylate

C30H28N6O2 — CID 167366794

IUPAC[(2R)-piperidin-2-yl]methyl 2-[6-[5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinolin-3-yl]pyridine-4-carboxylate
SMILESCc1cccc(-c2[nH]cnc2-c2ccc3ncc(-c4cc(C(=O)OC[C@H]5CCCCN5)ccn4)cc3c2)n1
InChIInChI=1S/C30H28N6O2/c1-19-5-4-7-26(36-19)29-28(34-18-35-29)20-8-9-25-22(13-20)14-23(16-33-25)27-15-21(10-12-32-27)30(37)38-17-24-6-2-3-11-31-24/h4-5,7-10,12-16,18,24,31H,2-3,6,11,17H2,1H3,(H,34,35)/t24-/m1/s1
InChIKeyJQOKOBXLUKEAQO-XMMPIXPASA-N
MW504.59 g/mol
LogP5.36
Rot. Bonds6

About [(2R)-piperidin-2-yl]methyl 2-[6-[5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinolin-3-yl]pyridine-4-carboxylate

[(2R)-piperidin-2-yl]methyl 2-[6-[5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinolin-3-yl]pyridine-4-carboxylate (PubChem CID 167366794) has the molecular formula C30H28N6O2 and a molecular weight of 504.59 g/mol. Its IUPAC name is [(2R)-piperidin-2-yl]methyl 2-[6-[5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinolin-3-yl]pyridine-4-carboxylate.

Molecular Properties

Compound Name[(2R)-piperidin-2-yl]methyl 2-[6-[5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinolin-3-yl]pyridine-4-carboxylate
PubChem CID167366794
Molecular FormulaC30H28N6O2
Molecular Weight504.59 g/mol
Exact Mass504.23
IUPAC Name[(2R)-piperidin-2-yl]methyl 2-[6-[5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinolin-3-yl]pyridine-4-carboxylate
SMILESCc1cccc(-c2[nH]cnc2-c2ccc3ncc(-c4cc(C(=O)OC[C@H]5CCCCN5)ccn4)cc3c2)n1
InChIInChI=1S/C30H28N6O2/c1-19-5-4-7-26(36-19)29-28(34-18-35-29)20-8-9-25-22(13-20)14-23(16-33-25)27-15-21(10-12-32-27)30(37)38-17-24-6-2-3-11-31-24/h4-5,7-10,12-16,18,24,31H,2-3,6,11,17H2,1H3,(H,34,35)/t24-/m1/s1
InChIKeyJQOKOBXLUKEAQO-XMMPIXPASA-N
XLogP5.36
TPSA105.68 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.59
LogP ≤ 55.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [(2R)-piperidin-2-yl]methyl 2-[6-[5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinolin-3-yl]pyridine-4-carboxylate?
The IUPAC name of [(2R)-piperidin-2-yl]methyl 2-[6-[5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinolin-3-yl]pyridine-4-carboxylate (CID 167366794) is [(2R)-piperidin-2-yl]methyl 2-[6-[5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinolin-3-yl]pyridine-4-carboxylate.
What is the SMILES notation for [(2R)-piperidin-2-yl]methyl 2-[6-[5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinolin-3-yl]pyridine-4-carboxylate?
The canonical SMILES for [(2R)-piperidin-2-yl]methyl 2-[6-[5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinolin-3-yl]pyridine-4-carboxylate is Cc1cccc(-c2[nH]cnc2-c2ccc3ncc(-c4cc(C(=O)OC[C@H]5CCCCN5)ccn4)cc3c2)n1.
What is the InChIKey of [(2R)-piperidin-2-yl]methyl 2-[6-[5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinolin-3-yl]pyridine-4-carboxylate?
The InChIKey is JQOKOBXLUKEAQO-XMMPIXPASA-N. The full InChI is InChI=1S/C30H28N6O2/c1-19-5-4-7-26(36-19)29-28(34-18-35-29)20-8-9-25-22(13-20)14-23(16-33-25)27-15-21(10-12-32-27)30(37)38-17-24-6-2-3-11-31-24/h4-5,7-10,12-16,18,24,31H,2-3,6,11,17H2,1H3,(H,34,35)/t24-/m1/s1.
What are the key properties of [(2R)-piperidin-2-yl]methyl 2-[6-[5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinolin-3-yl]pyridine-4-carboxylate?
[(2R)-piperidin-2-yl]methyl 2-[6-[5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinolin-3-yl]pyridine-4-carboxylate has a molecular weight of 504.59 g/mol, XLogP of 5.36, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-piperidin-2-yl]methyl 2-[6-[5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinolin-3-yl]pyridine-4-carboxylate is sourced from PubChem (CID 167366794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).