(5-phenyl-2-pyridinyl) 4-(2-methylquinolin-4-yl)piperazine-1-carboxylate

C26H24N4O2 — CID 53364507

IUPAC(5-phenyl-2-pyridinyl) 4-(2-methylquinolin-4-yl)piperazine-1-carboxylate
SMILESCc1cc(N2CCN(C(=O)Oc3ccc(-c4ccccc4)cn3)CC2)c2ccccc2n1
InChIInChI=1S/C26H24N4O2/c1-19-17-24(22-9-5-6-10-23(22)28-19)29-13-15-30(16-14-29)26(31)32-25-12-11-21(18-27-25)20-7-3-2-4-8-20/h2-12,17-18H,13-16H2,1H3
InChIKeyUJAPZGDOBGLQJC-UHFFFAOYSA-N
MW424.50 g/mol
LogP4.93
Rot. Bonds3

About (5-phenyl-2-pyridinyl) 4-(2-methylquinolin-4-yl)piperazine-1-carboxylate

(5-phenyl-2-pyridinyl) 4-(2-methylquinolin-4-yl)piperazine-1-carboxylate (PubChem CID 53364507) has the molecular formula C26H24N4O2 and a molecular weight of 424.50 g/mol. Its IUPAC name is (5-phenyl-2-pyridinyl) 4-(2-methylquinolin-4-yl)piperazine-1-carboxylate.

Molecular Properties

Compound Name(5-phenyl-2-pyridinyl) 4-(2-methylquinolin-4-yl)piperazine-1-carboxylate
PubChem CID53364507
Molecular FormulaC26H24N4O2
Molecular Weight424.50 g/mol
Exact Mass424.19
IUPAC Name(5-phenyl-2-pyridinyl) 4-(2-methylquinolin-4-yl)piperazine-1-carboxylate
SMILESCc1cc(N2CCN(C(=O)Oc3ccc(-c4ccccc4)cn3)CC2)c2ccccc2n1
InChIInChI=1S/C26H24N4O2/c1-19-17-24(22-9-5-6-10-23(22)28-19)29-13-15-30(16-14-29)26(31)32-25-12-11-21(18-27-25)20-7-3-2-4-8-20/h2-12,17-18H,13-16H2,1H3
InChIKeyUJAPZGDOBGLQJC-UHFFFAOYSA-N
XLogP4.93
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.50
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5-phenyl-2-pyridinyl) 4-(2-methylquinolin-4-yl)piperazine-1-carboxylate?
The IUPAC name of (5-phenyl-2-pyridinyl) 4-(2-methylquinolin-4-yl)piperazine-1-carboxylate (CID 53364507) is (5-phenyl-2-pyridinyl) 4-(2-methylquinolin-4-yl)piperazine-1-carboxylate.
What is the SMILES notation for (5-phenyl-2-pyridinyl) 4-(2-methylquinolin-4-yl)piperazine-1-carboxylate?
The canonical SMILES for (5-phenyl-2-pyridinyl) 4-(2-methylquinolin-4-yl)piperazine-1-carboxylate is Cc1cc(N2CCN(C(=O)Oc3ccc(-c4ccccc4)cn3)CC2)c2ccccc2n1.
What is the InChIKey of (5-phenyl-2-pyridinyl) 4-(2-methylquinolin-4-yl)piperazine-1-carboxylate?
The InChIKey is UJAPZGDOBGLQJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O2/c1-19-17-24(22-9-5-6-10-23(22)28-19)29-13-15-30(16-14-29)26(31)32-25-12-11-21(18-27-25)20-7-3-2-4-8-20/h2-12,17-18H,13-16H2,1H3.
What are the key properties of (5-phenyl-2-pyridinyl) 4-(2-methylquinolin-4-yl)piperazine-1-carboxylate?
(5-phenyl-2-pyridinyl) 4-(2-methylquinolin-4-yl)piperazine-1-carboxylate has a molecular weight of 424.50 g/mol, XLogP of 4.93, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-phenyl-2-pyridinyl) 4-(2-methylquinolin-4-yl)piperazine-1-carboxylate is sourced from PubChem (CID 53364507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).