methyl 2-[2-methyl-4-[(4-methylpiperazin-1-yl)amino]quinolin-3-yl]acetate

C18H24N4O2 — CID 110435937

IUPACmethyl 2-[2-methyl-4-[(4-methylpiperazin-1-yl)amino]quinolin-3-yl]acetate
SMILESCOC(=O)Cc1c(C)nc2ccccc2c1NN1CCN(C)CC1
InChIInChI=1S/C18H24N4O2/c1-13-15(12-17(23)24-3)18(14-6-4-5-7-16(14)19-13)20-22-10-8-21(2)9-11-22/h4-7H,8-12H2,1-3H3,(H,19,20)
InChIKeyRRCIJUUIEPFCRP-UHFFFAOYSA-N
MW328.42 g/mol
LogP1.83
Rot. Bonds4

About methyl 2-[2-methyl-4-[(4-methylpiperazin-1-yl)amino]quinolin-3-yl]acetate

methyl 2-[2-methyl-4-[(4-methylpiperazin-1-yl)amino]quinolin-3-yl]acetate (PubChem CID 110435937) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is methyl 2-[2-methyl-4-[(4-methylpiperazin-1-yl)amino]quinolin-3-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[2-methyl-4-[(4-methylpiperazin-1-yl)amino]quinolin-3-yl]acetate
PubChem CID110435937
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Namemethyl 2-[2-methyl-4-[(4-methylpiperazin-1-yl)amino]quinolin-3-yl]acetate
SMILESCOC(=O)Cc1c(C)nc2ccccc2c1NN1CCN(C)CC1
InChIInChI=1S/C18H24N4O2/c1-13-15(12-17(23)24-3)18(14-6-4-5-7-16(14)19-13)20-22-10-8-21(2)9-11-22/h4-7H,8-12H2,1-3H3,(H,19,20)
InChIKeyRRCIJUUIEPFCRP-UHFFFAOYSA-N
XLogP1.83
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 2-[2-methyl-4-[(4-methylpiperazin-1-yl)amino]quinolin-3-yl]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-[2-methyl-4-[(1-phenylcyclopropyl)amino]quinolin-3-yl]acetate
CID 110433162
methyl 2-[4-(2,6-difluoroanilino)-2-methylquinolin-3-yl]acetate
CID 110435345
methyl 2-[2-methyl-4-[methyl-(1-methylpiperidin-4-yl)amino]quinolin-3-yl]acetate
CID 110434013
methyl 2-(2-methyl-4-pyrrolidin-1-ylquinolin-3-yl)acetate
CID 110433990
methyl 2-[4-(4-methoxyanilino)-2-methylquinolin-3-yl]acetate
CID 110435325
methyl 2-[2-methyl-4-(1-phenylethylamino)quinolin-3-yl]acetate
CID 110432509
methyl 2-[4-(butylamino)-2-methylquinolin-3-yl]acetate
CID 110432495
methyl 2-[4-(3-fluoroanilino)-2-methylquinolin-3-yl]acetate
CID 110435333
methyl 2-[4-[2-(diethylamino)ethylamino]-2-methylquinolin-3-yl]acetate
CID 110432531
methyl 2-[4-(3-chloroanilino)-2-methylquinolin-3-yl]acetate
CID 110435321
methyl 2-[4-methyl-2-(trifluoromethyl)quinolin-3-yl]acetate
CID 97033673
methyl 2-[4-[2-(2-hydroxyethyl)piperidin-1-yl]-2-methylquinolin-3-yl]acetate
CID 110434020

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-methyl-4-[(4-methylpiperazin-1-yl)amino]quinolin-3-yl]acetate?
The IUPAC name of methyl 2-[2-methyl-4-[(4-methylpiperazin-1-yl)amino]quinolin-3-yl]acetate (CID 110435937) is methyl 2-[2-methyl-4-[(4-methylpiperazin-1-yl)amino]quinolin-3-yl]acetate.
What is the SMILES notation for methyl 2-[2-methyl-4-[(4-methylpiperazin-1-yl)amino]quinolin-3-yl]acetate?
The canonical SMILES for methyl 2-[2-methyl-4-[(4-methylpiperazin-1-yl)amino]quinolin-3-yl]acetate is COC(=O)Cc1c(C)nc2ccccc2c1NN1CCN(C)CC1.
What is the InChIKey of methyl 2-[2-methyl-4-[(4-methylpiperazin-1-yl)amino]quinolin-3-yl]acetate?
The InChIKey is RRCIJUUIEPFCRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-13-15(12-17(23)24-3)18(14-6-4-5-7-16(14)19-13)20-22-10-8-21(2)9-11-22/h4-7H,8-12H2,1-3H3,(H,19,20).
What are the key properties of methyl 2-[2-methyl-4-[(4-methylpiperazin-1-yl)amino]quinolin-3-yl]acetate?
methyl 2-[2-methyl-4-[(4-methylpiperazin-1-yl)amino]quinolin-3-yl]acetate has a molecular weight of 328.42 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-methyl-4-[(4-methylpiperazin-1-yl)amino]quinolin-3-yl]acetate is sourced from PubChem (CID 110435937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).