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

C20H27N3O2 — CID 110434013

IUPACmethyl 2-[2-methyl-4-[methyl-(1-methylpiperidin-4-yl)amino]quinolin-3-yl]acetate
SMILESCOC(=O)Cc1c(C)nc2ccccc2c1N(C)C1CCN(C)CC1
InChIInChI=1S/C20H27N3O2/c1-14-17(13-19(24)25-4)20(16-7-5-6-8-18(16)21-14)23(3)15-9-11-22(2)12-10-15/h5-8,15H,9-13H2,1-4H3
InChIKeyKIFAXOGSCXRZQU-UHFFFAOYSA-N
MW341.46 g/mol
LogP2.79
Rot. Bonds4

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

methyl 2-[2-methyl-4-[methyl-(1-methylpiperidin-4-yl)amino]quinolin-3-yl]acetate (PubChem CID 110434013) has the molecular formula C20H27N3O2 and a molecular weight of 341.46 g/mol. Its IUPAC name is methyl 2-[2-methyl-4-[methyl-(1-methylpiperidin-4-yl)amino]quinolin-3-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[2-methyl-4-[methyl-(1-methylpiperidin-4-yl)amino]quinolin-3-yl]acetate
PubChem CID110434013
Molecular FormulaC20H27N3O2
Molecular Weight341.46 g/mol
Exact Mass341.21
IUPAC Namemethyl 2-[2-methyl-4-[methyl-(1-methylpiperidin-4-yl)amino]quinolin-3-yl]acetate
SMILESCOC(=O)Cc1c(C)nc2ccccc2c1N(C)C1CCN(C)CC1
InChIInChI=1S/C20H27N3O2/c1-14-17(13-19(24)25-4)20(16-7-5-6-8-18(16)21-14)23(3)15-9-11-22(2)12-10-15/h5-8,15H,9-13H2,1-4H3
InChIKeyKIFAXOGSCXRZQU-UHFFFAOYSA-N
XLogP2.79
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[2-methyl-4-[(4-methylpiperazin-1-yl)amino]quinolin-3-yl]acetate
CID 110435937
methyl 2-(2-methyl-4-pyrrolidin-1-ylquinolin-3-yl)acetate
CID 110433990
methyl 2-[4-[2-(2-hydroxyethyl)piperidin-1-yl]-2-methylquinolin-3-yl]acetate
CID 110434020
4-(aminomethyl)-N-methyl-N-(1-methylpiperidin-4-yl)quinolin-2-amine
CID 62300001
methyl 2-[2-methyl-4-(1-phenylethylamino)quinolin-3-yl]acetate
CID 110432509
methyl 2-[2-methyl-4-[(1-phenylcyclopropyl)amino]quinolin-3-yl]acetate
CID 110433162
methyl 2-[4-(4-methoxyanilino)-2-methylquinolin-3-yl]acetate
CID 110435325
methyl 2-[4-(2,6-difluoroanilino)-2-methylquinolin-3-yl]acetate
CID 110435345
methyl 2-[4-(butylamino)-2-methylquinolin-3-yl]acetate
CID 110432495
methyl 2-[4-[2-(diethylamino)ethylamino]-2-methylquinolin-3-yl]acetate
CID 110432531
methyl 2-[4-methyl-2-(trifluoromethyl)quinolin-3-yl]acetate
CID 97033673
N-[1-(3-ethyl-2-methylquinolin-4-yl)piperidin-4-yl]-N-methylethanesulfonamide
CID 133437703

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-methyl-4-[methyl-(1-methylpiperidin-4-yl)amino]quinolin-3-yl]acetate?
The IUPAC name of methyl 2-[2-methyl-4-[methyl-(1-methylpiperidin-4-yl)amino]quinolin-3-yl]acetate (CID 110434013) is methyl 2-[2-methyl-4-[methyl-(1-methylpiperidin-4-yl)amino]quinolin-3-yl]acetate.
What is the SMILES notation for methyl 2-[2-methyl-4-[methyl-(1-methylpiperidin-4-yl)amino]quinolin-3-yl]acetate?
The canonical SMILES for methyl 2-[2-methyl-4-[methyl-(1-methylpiperidin-4-yl)amino]quinolin-3-yl]acetate is COC(=O)Cc1c(C)nc2ccccc2c1N(C)C1CCN(C)CC1.
What is the InChIKey of methyl 2-[2-methyl-4-[methyl-(1-methylpiperidin-4-yl)amino]quinolin-3-yl]acetate?
The InChIKey is KIFAXOGSCXRZQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O2/c1-14-17(13-19(24)25-4)20(16-7-5-6-8-18(16)21-14)23(3)15-9-11-22(2)12-10-15/h5-8,15H,9-13H2,1-4H3.
What are the key properties of methyl 2-[2-methyl-4-[methyl-(1-methylpiperidin-4-yl)amino]quinolin-3-yl]acetate?
methyl 2-[2-methyl-4-[methyl-(1-methylpiperidin-4-yl)amino]quinolin-3-yl]acetate has a molecular weight of 341.46 g/mol, XLogP of 2.79, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-methyl-4-[methyl-(1-methylpiperidin-4-yl)amino]quinolin-3-yl]acetate is sourced from PubChem (CID 110434013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).