3-(4-methoxyphenyl)-N-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]propanamide

C25H30N4O2 — CID 22422406

IUPAC3-(4-methoxyphenyl)-N-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]propanamide
SMILESCOc1ccc(CCC(=O)Nc2ccc3nc(N4CCN(C)CC4)cc(C)c3c2)cc1
InChIInChI=1S/C25H30N4O2/c1-18-16-24(29-14-12-28(2)13-15-29)27-23-10-7-20(17-22(18)23)26-25(30)11-6-19-4-8-21(31-3)9-5-19/h4-5,7-10,16-17H,6,11-15H2,1-3H3,(H,26,30)
InChIKeyXTZCFKFJPJDDEZ-UHFFFAOYSA-N
MW418.54 g/mol
LogP3.87
Rot. Bonds6

About 3-(4-methoxyphenyl)-N-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]propanamide

3-(4-methoxyphenyl)-N-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]propanamide (PubChem CID 22422406) has the molecular formula C25H30N4O2 and a molecular weight of 418.54 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-N-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]propanamide.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-N-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]propanamide
PubChem CID22422406
Molecular FormulaC25H30N4O2
Molecular Weight418.54 g/mol
Exact Mass418.24
IUPAC Name3-(4-methoxyphenyl)-N-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]propanamide
SMILESCOc1ccc(CCC(=O)Nc2ccc3nc(N4CCN(C)CC4)cc(C)c3c2)cc1
InChIInChI=1S/C25H30N4O2/c1-18-16-24(29-14-12-28(2)13-15-29)27-23-10-7-20(17-22(18)23)26-25(30)11-6-19-4-8-21(31-3)9-5-19/h4-5,7-10,16-17H,6,11-15H2,1-3H3,(H,26,30)
InChIKeyXTZCFKFJPJDDEZ-UHFFFAOYSA-N
XLogP3.87
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.54
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-N-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]propanamide?
The IUPAC name of 3-(4-methoxyphenyl)-N-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]propanamide (CID 22422406) is 3-(4-methoxyphenyl)-N-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]propanamide.
What is the SMILES notation for 3-(4-methoxyphenyl)-N-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]propanamide?
The canonical SMILES for 3-(4-methoxyphenyl)-N-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]propanamide is COc1ccc(CCC(=O)Nc2ccc3nc(N4CCN(C)CC4)cc(C)c3c2)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-N-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]propanamide?
The InChIKey is XTZCFKFJPJDDEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O2/c1-18-16-24(29-14-12-28(2)13-15-29)27-23-10-7-20(17-22(18)23)26-25(30)11-6-19-4-8-21(31-3)9-5-19/h4-5,7-10,16-17H,6,11-15H2,1-3H3,(H,26,30).
What are the key properties of 3-(4-methoxyphenyl)-N-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]propanamide?
3-(4-methoxyphenyl)-N-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]propanamide has a molecular weight of 418.54 g/mol, XLogP of 3.87, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-N-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]propanamide is sourced from PubChem (CID 22422406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).