8-methoxy-4-methyl-6-(4-methylpiperazin-1-yl)-2-(2-propan-2-ylpyrimidin-4-yl)quinoline

C23H29N5O — CID 169410635

IUPAC8-methoxy-4-methyl-6-(4-methylpiperazin-1-yl)-2-(2-propan-2-ylpyrimidin-4-yl)quinoline
SMILESCOc1cc(N2CCN(C)CC2)cc2c(C)cc(-c3ccnc(C(C)C)n3)nc12
InChIInChI=1S/C23H29N5O/c1-15(2)23-24-7-6-19(26-23)20-12-16(3)18-13-17(14-21(29-5)22(18)25-20)28-10-8-27(4)9-11-28/h6-7,12-15H,8-11H2,1-5H3
InChIKeyUMPSEPUAGRUKTI-UHFFFAOYSA-N
MW391.52 g/mol
LogP3.88
Rot. Bonds4

About 8-methoxy-4-methyl-6-(4-methylpiperazin-1-yl)-2-(2-propan-2-ylpyrimidin-4-yl)quinoline

8-methoxy-4-methyl-6-(4-methylpiperazin-1-yl)-2-(2-propan-2-ylpyrimidin-4-yl)quinoline (PubChem CID 169410635) has the molecular formula C23H29N5O and a molecular weight of 391.52 g/mol. Its IUPAC name is 8-methoxy-4-methyl-6-(4-methylpiperazin-1-yl)-2-(2-propan-2-ylpyrimidin-4-yl)quinoline.

Molecular Properties

Compound Name8-methoxy-4-methyl-6-(4-methylpiperazin-1-yl)-2-(2-propan-2-ylpyrimidin-4-yl)quinoline
PubChem CID169410635
Molecular FormulaC23H29N5O
Molecular Weight391.52 g/mol
Exact Mass391.24
IUPAC Name8-methoxy-4-methyl-6-(4-methylpiperazin-1-yl)-2-(2-propan-2-ylpyrimidin-4-yl)quinoline
SMILESCOc1cc(N2CCN(C)CC2)cc2c(C)cc(-c3ccnc(C(C)C)n3)nc12
InChIInChI=1S/C23H29N5O/c1-15(2)23-24-7-6-19(26-23)20-12-16(3)18-13-17(14-21(29-5)22(18)25-20)28-10-8-27(4)9-11-28/h6-7,12-15H,8-11H2,1-5H3
InChIKeyUMPSEPUAGRUKTI-UHFFFAOYSA-N
XLogP3.88
TPSA54.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.52
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

8-methoxy-2-(6-methoxy-2-pyridinyl)-4-methyl-6-(4-methylpiperazin-1-yl)quinoline
CID 171909719
8-methoxy-2-(5-methoxy-3-pyridinyl)-4-methyl-6-(4-methylpiperazin-1-yl)quinoline
CID 171908410
1-(3,4-dimethoxyphenyl)-4-methylpiperazine
CID 21363782
8-methoxy-4-methyl-2-(4-methyl-1,4-diazepan-1-yl)quinoline
CID 6456448
[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]boronic acid
CID 124926588
11,12-dimethyl-3,6-bis(4-methylpiperazin-1-yl)phenanthro[9,10-b]quinoxaline
CID 166633996
1-(4-chloro-3-methoxyphenyl)-4-methylpiperazine
CID 143061679
4-(2-methoxyphenyl)-2-(4-methylpiperazin-1-yl)pyrimidine;dihydrobromide
CID 44614492
3-methoxy-4-[4-methyl-6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]phenol
CID 165419779
5-methoxy-7-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydroquinoline
CID 82624054
4-methoxy-2-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]-5-propan-2-ylbenzamide
CID 100716626
3-(2-hydroxyethyl)-7-[4-(2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]quinazolin-4-one
CID 126898859

Frequently Asked Questions

What is the IUPAC name of 8-methoxy-4-methyl-6-(4-methylpiperazin-1-yl)-2-(2-propan-2-ylpyrimidin-4-yl)quinoline?
The IUPAC name of 8-methoxy-4-methyl-6-(4-methylpiperazin-1-yl)-2-(2-propan-2-ylpyrimidin-4-yl)quinoline (CID 169410635) is 8-methoxy-4-methyl-6-(4-methylpiperazin-1-yl)-2-(2-propan-2-ylpyrimidin-4-yl)quinoline.
What is the SMILES notation for 8-methoxy-4-methyl-6-(4-methylpiperazin-1-yl)-2-(2-propan-2-ylpyrimidin-4-yl)quinoline?
The canonical SMILES for 8-methoxy-4-methyl-6-(4-methylpiperazin-1-yl)-2-(2-propan-2-ylpyrimidin-4-yl)quinoline is COc1cc(N2CCN(C)CC2)cc2c(C)cc(-c3ccnc(C(C)C)n3)nc12.
What is the InChIKey of 8-methoxy-4-methyl-6-(4-methylpiperazin-1-yl)-2-(2-propan-2-ylpyrimidin-4-yl)quinoline?
The InChIKey is UMPSEPUAGRUKTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O/c1-15(2)23-24-7-6-19(26-23)20-12-16(3)18-13-17(14-21(29-5)22(18)25-20)28-10-8-27(4)9-11-28/h6-7,12-15H,8-11H2,1-5H3.
What are the key properties of 8-methoxy-4-methyl-6-(4-methylpiperazin-1-yl)-2-(2-propan-2-ylpyrimidin-4-yl)quinoline?
8-methoxy-4-methyl-6-(4-methylpiperazin-1-yl)-2-(2-propan-2-ylpyrimidin-4-yl)quinoline has a molecular weight of 391.52 g/mol, XLogP of 3.88, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-4-methyl-6-(4-methylpiperazin-1-yl)-2-(2-propan-2-ylpyrimidin-4-yl)quinoline is sourced from PubChem (CID 169410635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).