8-[methyl-[[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methyl]amino]quinoline-6-carboxylic acid

C22H26N6O2 — CID 154608467

IUPAC8-[methyl-[[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methyl]amino]quinoline-6-carboxylic acid
SMILESCc1nc(CN(C)c2cc(C(=O)O)cc3cccnc23)cc(N2CCN(C)CC2)n1
InChIInChI=1S/C22H26N6O2/c1-15-24-18(13-20(25-15)28-9-7-26(2)8-10-28)14-27(3)19-12-17(22(29)30)11-16-5-4-6-23-21(16)19/h4-6,11-13H,7-10,14H2,1-3H3,(H,29,30)
InChIKeyOQLDTEUNXRMINB-UHFFFAOYSA-N
MW406.49 g/mol
LogP2.42
Rot. Bonds5

About 8-[methyl-[[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methyl]amino]quinoline-6-carboxylic acid

8-[methyl-[[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methyl]amino]quinoline-6-carboxylic acid (PubChem CID 154608467) has the molecular formula C22H26N6O2 and a molecular weight of 406.49 g/mol. Its IUPAC name is 8-[methyl-[[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methyl]amino]quinoline-6-carboxylic acid.

Molecular Properties

Compound Name8-[methyl-[[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methyl]amino]quinoline-6-carboxylic acid
PubChem CID154608467
Molecular FormulaC22H26N6O2
Molecular Weight406.49 g/mol
Exact Mass406.21
IUPAC Name8-[methyl-[[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methyl]amino]quinoline-6-carboxylic acid
SMILESCc1nc(CN(C)c2cc(C(=O)O)cc3cccnc23)cc(N2CCN(C)CC2)n1
InChIInChI=1S/C22H26N6O2/c1-15-24-18(13-20(25-15)28-9-7-26(2)8-10-28)14-27(3)19-12-17(22(29)30)11-16-5-4-6-23-21(16)19/h4-6,11-13H,7-10,14H2,1-3H3,(H,29,30)
InChIKeyOQLDTEUNXRMINB-UHFFFAOYSA-N
XLogP2.42
TPSA85.69 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 8-[methyl-[[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methyl]amino]quinoline-6-carboxylic acid with MolForge

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Related Compounds

lithium;alumane;hydride;methyl 8-[methyl-[[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methyl]amino]quinoline-6-carboxylate;8-[methyl-[[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methyl]amino]quinoline-6-carboxylic acid
CID 160704710
N-methyl-N-[[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methyl]-1,6-naphthyridin-8-amine
CID 138491882
N,7-dimethyl-N-[[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methyl]quinolin-8-amine
CID 138501511
4-[[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methyl-quinolin-8-ylamino]butanoic acid
CID 138491839
N-methyl-N-[[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methyl]-7-methylsulfonylquinolin-8-amine
CID 138501513
[4-(4-methylpiperazin-1-yl)-6-[[methyl(quinolin-8-yl)amino]methyl]pyrimidin-2-yl]methanol
CID 138501488
N-[[5-chloro-2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methyl]-N-methylquinolin-8-amine
CID 138501676
N-ethyl-N-[(2-methyl-6-piperazin-1-ylpyrimidin-4-yl)methyl]quinolin-8-amine
CID 138501495
4-(benzenesulfonylmethyl)-2-methyl-6-(4-methylpiperazin-1-yl)pyrimidine
CID 1476659
tert-butyl N-[4-[[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methyl-quinolin-8-ylamino]butyl]carbamate;N-cyclopropyl-N-[[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methyl]quinolin-8-amine;N-ethyl-N-[[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methyl]quinolin-8-amine;N'-[[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methyl]-N'-quinolin-8-ylbutane-1,4-diamine
CID 162215665
N-methyl-N-[[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methyl]-1-(5-methyl-2-pyridinyl)ethanamine
CID 138501798
[4-[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]-pyridin-2-ylmethanone
CID 122340982

Frequently Asked Questions

What is the IUPAC name of 8-[methyl-[[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methyl]amino]quinoline-6-carboxylic acid?
The IUPAC name of 8-[methyl-[[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methyl]amino]quinoline-6-carboxylic acid (CID 154608467) is 8-[methyl-[[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methyl]amino]quinoline-6-carboxylic acid.
What is the SMILES notation for 8-[methyl-[[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methyl]amino]quinoline-6-carboxylic acid?
The canonical SMILES for 8-[methyl-[[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methyl]amino]quinoline-6-carboxylic acid is Cc1nc(CN(C)c2cc(C(=O)O)cc3cccnc23)cc(N2CCN(C)CC2)n1.
What is the InChIKey of 8-[methyl-[[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methyl]amino]quinoline-6-carboxylic acid?
The InChIKey is OQLDTEUNXRMINB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6O2/c1-15-24-18(13-20(25-15)28-9-7-26(2)8-10-28)14-27(3)19-12-17(22(29)30)11-16-5-4-6-23-21(16)19/h4-6,11-13H,7-10,14H2,1-3H3,(H,29,30).
What are the key properties of 8-[methyl-[[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methyl]amino]quinoline-6-carboxylic acid?
8-[methyl-[[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methyl]amino]quinoline-6-carboxylic acid has a molecular weight of 406.49 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[methyl-[[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methyl]amino]quinoline-6-carboxylic acid is sourced from PubChem (CID 154608467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).