(6-methyl-2-pyridin-2-ylquinolin-4-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

C24H22N6O — CID 1257106

IUPAC(6-methyl-2-pyridin-2-ylquinolin-4-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
SMILESCc1ccc2nc(-c3ccccn3)cc(C(=O)N3CCN(c4ncccn4)CC3)c2c1
InChIInChI=1S/C24H22N6O/c1-17-6-7-20-18(15-17)19(16-22(28-20)21-5-2-3-8-25-21)23(31)29-11-13-30(14-12-29)24-26-9-4-10-27-24/h2-10,15-16H,11-14H2,1H3
InChIKeyUQGLBNUMMKYHSW-UHFFFAOYSA-N
MW410.48 g/mol
LogP3.36
Rot. Bonds3

About (6-methyl-2-pyridin-2-ylquinolin-4-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

(6-methyl-2-pyridin-2-ylquinolin-4-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone (PubChem CID 1257106) has the molecular formula C24H22N6O and a molecular weight of 410.48 g/mol. Its IUPAC name is (6-methyl-2-pyridin-2-ylquinolin-4-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(6-methyl-2-pyridin-2-ylquinolin-4-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
PubChem CID1257106
Molecular FormulaC24H22N6O
Molecular Weight410.48 g/mol
Exact Mass410.19
IUPAC Name(6-methyl-2-pyridin-2-ylquinolin-4-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
SMILESCc1ccc2nc(-c3ccccn3)cc(C(=O)N3CCN(c4ncccn4)CC3)c2c1
InChIInChI=1S/C24H22N6O/c1-17-6-7-20-18(15-17)19(16-22(28-20)21-5-2-3-8-25-21)23(31)29-11-13-30(14-12-29)24-26-9-4-10-27-24/h2-10,15-16H,11-14H2,1H3
InChIKeyUQGLBNUMMKYHSW-UHFFFAOYSA-N
XLogP3.36
TPSA75.11 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.48
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (6-methyl-2-pyridin-2-ylquinolin-4-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The IUPAC name of (6-methyl-2-pyridin-2-ylquinolin-4-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone (CID 1257106) is (6-methyl-2-pyridin-2-ylquinolin-4-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for (6-methyl-2-pyridin-2-ylquinolin-4-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for (6-methyl-2-pyridin-2-ylquinolin-4-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone is Cc1ccc2nc(-c3ccccn3)cc(C(=O)N3CCN(c4ncccn4)CC3)c2c1.
What is the InChIKey of (6-methyl-2-pyridin-2-ylquinolin-4-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The InChIKey is UQGLBNUMMKYHSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N6O/c1-17-6-7-20-18(15-17)19(16-22(28-20)21-5-2-3-8-25-21)23(31)29-11-13-30(14-12-29)24-26-9-4-10-27-24/h2-10,15-16H,11-14H2,1H3.
What are the key properties of (6-methyl-2-pyridin-2-ylquinolin-4-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
(6-methyl-2-pyridin-2-ylquinolin-4-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone has a molecular weight of 410.48 g/mol, XLogP of 3.36, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methyl-2-pyridin-2-ylquinolin-4-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 1257106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).