(8-methyl-2-pyridin-4-ylquinolin-4-yl)-(4-phenylpiperazin-1-yl)methanone

C26H24N4O — CID 1257121

IUPAC(8-methyl-2-pyridin-4-ylquinolin-4-yl)-(4-phenylpiperazin-1-yl)methanone
SMILESCc1cccc2c(C(=O)N3CCN(c4ccccc4)CC3)cc(-c3ccncc3)nc12
InChIInChI=1S/C26H24N4O/c1-19-6-5-9-22-23(18-24(28-25(19)22)20-10-12-27-13-11-20)26(31)30-16-14-29(15-17-30)21-7-3-2-4-8-21/h2-13,18H,14-17H2,1H3
InChIKeyCALGINCFVJCOTQ-UHFFFAOYSA-N
MW408.51 g/mol
LogP4.57
Rot. Bonds3

About (8-methyl-2-pyridin-4-ylquinolin-4-yl)-(4-phenylpiperazin-1-yl)methanone

(8-methyl-2-pyridin-4-ylquinolin-4-yl)-(4-phenylpiperazin-1-yl)methanone (PubChem CID 1257121) has the molecular formula C26H24N4O and a molecular weight of 408.51 g/mol. Its IUPAC name is (8-methyl-2-pyridin-4-ylquinolin-4-yl)-(4-phenylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(8-methyl-2-pyridin-4-ylquinolin-4-yl)-(4-phenylpiperazin-1-yl)methanone
PubChem CID1257121
Molecular FormulaC26H24N4O
Molecular Weight408.51 g/mol
Exact Mass408.20
IUPAC Name(8-methyl-2-pyridin-4-ylquinolin-4-yl)-(4-phenylpiperazin-1-yl)methanone
SMILESCc1cccc2c(C(=O)N3CCN(c4ccccc4)CC3)cc(-c3ccncc3)nc12
InChIInChI=1S/C26H24N4O/c1-19-6-5-9-22-23(18-24(28-25(19)22)20-10-12-27-13-11-20)26(31)30-16-14-29(15-17-30)21-7-3-2-4-8-21/h2-13,18H,14-17H2,1H3
InChIKeyCALGINCFVJCOTQ-UHFFFAOYSA-N
XLogP4.57
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.51
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (8-methyl-2-pyridin-4-ylquinolin-4-yl)-(4-phenylpiperazin-1-yl)methanone?
The IUPAC name of (8-methyl-2-pyridin-4-ylquinolin-4-yl)-(4-phenylpiperazin-1-yl)methanone (CID 1257121) is (8-methyl-2-pyridin-4-ylquinolin-4-yl)-(4-phenylpiperazin-1-yl)methanone.
What is the SMILES notation for (8-methyl-2-pyridin-4-ylquinolin-4-yl)-(4-phenylpiperazin-1-yl)methanone?
The canonical SMILES for (8-methyl-2-pyridin-4-ylquinolin-4-yl)-(4-phenylpiperazin-1-yl)methanone is Cc1cccc2c(C(=O)N3CCN(c4ccccc4)CC3)cc(-c3ccncc3)nc12.
What is the InChIKey of (8-methyl-2-pyridin-4-ylquinolin-4-yl)-(4-phenylpiperazin-1-yl)methanone?
The InChIKey is CALGINCFVJCOTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O/c1-19-6-5-9-22-23(18-24(28-25(19)22)20-10-12-27-13-11-20)26(31)30-16-14-29(15-17-30)21-7-3-2-4-8-21/h2-13,18H,14-17H2,1H3.
What are the key properties of (8-methyl-2-pyridin-4-ylquinolin-4-yl)-(4-phenylpiperazin-1-yl)methanone?
(8-methyl-2-pyridin-4-ylquinolin-4-yl)-(4-phenylpiperazin-1-yl)methanone has a molecular weight of 408.51 g/mol, XLogP of 4.57, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (8-methyl-2-pyridin-4-ylquinolin-4-yl)-(4-phenylpiperazin-1-yl)methanone is sourced from PubChem (CID 1257121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).