4-[4-(5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-7,8-dimethylquinoline

C21H25N5 — CID 135101124

IUPAC4-[4-(5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-7,8-dimethylquinoline
SMILESCc1ccc2c(N3CCN(c4ncnc(C)c4C)CC3)ccnc2c1C
InChIInChI=1S/C21H25N5/c1-14-5-6-18-19(7-8-22-20(18)15(14)2)25-9-11-26(12-10-25)21-16(3)17(4)23-13-24-21/h5-8,13H,9-12H2,1-4H3
InChIKeyPVQFHACAVVSUGD-UHFFFAOYSA-N
MW347.47 g/mol
LogP3.59
Rot. Bonds2

About 4-[4-(5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-7,8-dimethylquinoline

4-[4-(5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-7,8-dimethylquinoline (PubChem CID 135101124) has the molecular formula C21H25N5 and a molecular weight of 347.47 g/mol. Its IUPAC name is 4-[4-(5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-7,8-dimethylquinoline.

Molecular Properties

Compound Name4-[4-(5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-7,8-dimethylquinoline
PubChem CID135101124
Molecular FormulaC21H25N5
Molecular Weight347.47 g/mol
Exact Mass347.21
IUPAC Name4-[4-(5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-7,8-dimethylquinoline
SMILESCc1ccc2c(N3CCN(c4ncnc(C)c4C)CC3)ccnc2c1C
InChIInChI=1S/C21H25N5/c1-14-5-6-18-19(7-8-22-20(18)15(14)2)25-9-11-26(12-10-25)21-16(3)17(4)23-13-24-21/h5-8,13H,9-12H2,1-4H3
InChIKeyPVQFHACAVVSUGD-UHFFFAOYSA-N
XLogP3.59
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.47
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-benzylpiperazin-1-yl)-7,8-dimethylquinoline
CID 43840526
[[4-(7,8-dimethylquinazolin-4-yl)piperazin-1-yl]-(methylamino)methylidene]vanadium
CID 59928295
4,7-bis(3,4-dimethyl-2,5-dihydropyrrol-1-yl)-1,10-phenanthroline
CID 177092018
4,5-dimethyl-6-[4-(4-pyrrolidin-1-ylpyrimidin-2-yl)piperazin-1-yl]pyrimidine
CID 146074300
8-(7,8-dimethylquinolin-4-yl)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
CID 72892575
N-[[5-(7,8-dimethylquinolin-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]pyrimidin-2-amine
CID 118788879
2-[4-(5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-3-methylquinoxaline
CID 139027361
5-methoxy-4-methyl-6-[4-(2-methylphenyl)piperazin-1-yl]pyrimidine
CID 138005559
4,5-dimethyl-6-[4-(4-pyridin-2-ylpyrimidin-2-yl)piperazin-1-yl]pyrimidine
CID 163352081
4,5-dimethyl-6-[4-(3-methylphenyl)piperazin-1-yl]pyrimidine
CID 154829084
1-[5-(7,8-dimethylquinolin-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]ethane-1,2-diol
CID 91790405
4-[4-(5-chloropyrimidin-2-yl)piperazin-1-yl]-5,6-dimethylpyrimidine
CID 139028592

Frequently Asked Questions

What is the IUPAC name of 4-[4-(5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-7,8-dimethylquinoline?
The IUPAC name of 4-[4-(5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-7,8-dimethylquinoline (CID 135101124) is 4-[4-(5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-7,8-dimethylquinoline.
What is the SMILES notation for 4-[4-(5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-7,8-dimethylquinoline?
The canonical SMILES for 4-[4-(5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-7,8-dimethylquinoline is Cc1ccc2c(N3CCN(c4ncnc(C)c4C)CC3)ccnc2c1C.
What is the InChIKey of 4-[4-(5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-7,8-dimethylquinoline?
The InChIKey is PVQFHACAVVSUGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5/c1-14-5-6-18-19(7-8-22-20(18)15(14)2)25-9-11-26(12-10-25)21-16(3)17(4)23-13-24-21/h5-8,13H,9-12H2,1-4H3.
What are the key properties of 4-[4-(5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-7,8-dimethylquinoline?
4-[4-(5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-7,8-dimethylquinoline has a molecular weight of 347.47 g/mol, XLogP of 3.59, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-7,8-dimethylquinoline is sourced from PubChem (CID 135101124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).