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

C24H22N6O — CID 1261235

IUPAC(6-methyl-2-pyridin-4-ylquinolin-4-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
SMILESCc1ccc2nc(-c3ccncc3)cc(C(=O)N3CCN(c4ncccn4)CC3)c2c1
InChIInChI=1S/C24H22N6O/c1-17-3-4-21-19(15-17)20(16-22(28-21)18-5-9-25-10-6-18)23(31)29-11-13-30(14-12-29)24-26-7-2-8-27-24/h2-10,15-16H,11-14H2,1H3
InChIKeyUBTPSHVBNJJDBM-UHFFFAOYSA-N
MW410.48 g/mol
LogP3.36
Rot. Bonds3

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

(6-methyl-2-pyridin-4-ylquinolin-4-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone (PubChem CID 1261235) has the molecular formula C24H22N6O and a molecular weight of 410.48 g/mol. Its IUPAC name is (6-methyl-2-pyridin-4-ylquinolin-4-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(6-methyl-2-pyridin-4-ylquinolin-4-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
PubChem CID1261235
Molecular FormulaC24H22N6O
Molecular Weight410.48 g/mol
Exact Mass410.19
IUPAC Name(6-methyl-2-pyridin-4-ylquinolin-4-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
SMILESCc1ccc2nc(-c3ccncc3)cc(C(=O)N3CCN(c4ncccn4)CC3)c2c1
InChIInChI=1S/C24H22N6O/c1-17-3-4-21-19(15-17)20(16-22(28-21)18-5-9-25-10-6-18)23(31)29-11-13-30(14-12-29)24-26-7-2-8-27-24/h2-10,15-16H,11-14H2,1H3
InChIKeyUBTPSHVBNJJDBM-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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Related Compounds

[4-(4-methoxyphenyl)piperazin-1-yl]-(6-methyl-2-pyridin-4-ylquinolin-4-yl)methanone
CID 17375510
[2-(4-phenylphenyl)quinolin-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 2382262
(2,6-dimethylmorpholin-4-yl)-(6-methyl-2-pyridin-4-ylquinolin-4-yl)methanone
CID 4302075
(3-methylphenyl)-[4-(2-pyridin-4-ylquinoline-4-carbonyl)-1,4-diazepan-1-yl]methanone
CID 38462791
[6-methyl-2-(4-propan-2-ylphenyl)quinolin-4-yl]-(4-phenylpiperazin-1-yl)methanone
CID 4283982
[2-(4-fluorophenyl)-6-methylquinolin-4-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 3286771
(2,5-dimethylphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 2110630
[2-(4-methoxyphenyl)-6-methylquinolin-4-yl]-[4-(2-methylphenyl)piperazin-1-yl]methanone
CID 3369416
N-[4-[4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)quinolin-2-yl]phenyl]propanamide
CID 46375275
(6-chloro-2-pyridin-4-ylquinolin-4-yl)-[4-(3,4-dichlorophenyl)piperazin-1-yl]methanone
CID 17375214
1-[4-[4-(6-bromo-2-pyridin-4-ylquinoline-4-carbonyl)piperazin-1-yl]phenyl]ethanone
CID 2965502
[4-(2-methylphenyl)piperazin-1-yl]-(6-methyl-2-thiophen-3-ylquinolin-4-yl)methanone
CID 42749891

Frequently Asked Questions

What is the IUPAC name of (6-methyl-2-pyridin-4-ylquinolin-4-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The IUPAC name of (6-methyl-2-pyridin-4-ylquinolin-4-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone (CID 1261235) is (6-methyl-2-pyridin-4-ylquinolin-4-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for (6-methyl-2-pyridin-4-ylquinolin-4-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for (6-methyl-2-pyridin-4-ylquinolin-4-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone is Cc1ccc2nc(-c3ccncc3)cc(C(=O)N3CCN(c4ncccn4)CC3)c2c1.
What is the InChIKey of (6-methyl-2-pyridin-4-ylquinolin-4-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The InChIKey is UBTPSHVBNJJDBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N6O/c1-17-3-4-21-19(15-17)20(16-22(28-21)18-5-9-25-10-6-18)23(31)29-11-13-30(14-12-29)24-26-7-2-8-27-24/h2-10,15-16H,11-14H2,1H3.
What are the key properties of (6-methyl-2-pyridin-4-ylquinolin-4-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
(6-methyl-2-pyridin-4-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-4-ylquinolin-4-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 1261235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).