methyl 2-[[[2-(dimethylamino)-2-oxoethyl]-methylamino]methyl]-4-methylquinoline-3-carboxylate

C18H23N3O3 — CID 8694980

IUPACmethyl 2-[[[2-(dimethylamino)-2-oxoethyl]-methylamino]methyl]-4-methylquinoline-3-carboxylate
SMILESCOC(=O)c1c(CN(C)CC(=O)N(C)C)nc2ccccc2c1C
InChIInChI=1S/C18H23N3O3/c1-12-13-8-6-7-9-14(13)19-15(17(12)18(23)24-5)10-21(4)11-16(22)20(2)3/h6-9H,10-11H2,1-5H3
InChIKeyQQTIDUAWQDKXSA-UHFFFAOYSA-N
MW329.40 g/mol
LogP1.85
Rot. Bonds5

About methyl 2-[[[2-(dimethylamino)-2-oxoethyl]-methylamino]methyl]-4-methylquinoline-3-carboxylate

methyl 2-[[[2-(dimethylamino)-2-oxoethyl]-methylamino]methyl]-4-methylquinoline-3-carboxylate (PubChem CID 8694980) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is methyl 2-[[[2-(dimethylamino)-2-oxoethyl]-methylamino]methyl]-4-methylquinoline-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-[[[2-(dimethylamino)-2-oxoethyl]-methylamino]methyl]-4-methylquinoline-3-carboxylate
PubChem CID8694980
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC Namemethyl 2-[[[2-(dimethylamino)-2-oxoethyl]-methylamino]methyl]-4-methylquinoline-3-carboxylate
SMILESCOC(=O)c1c(CN(C)CC(=O)N(C)C)nc2ccccc2c1C
InChIInChI=1S/C18H23N3O3/c1-12-13-8-6-7-9-14(13)19-15(17(12)18(23)24-5)10-21(4)11-16(22)20(2)3/h6-9H,10-11H2,1-5H3
InChIKeyQQTIDUAWQDKXSA-UHFFFAOYSA-N
XLogP1.85
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 2-[[[2-(dimethylamino)-2-oxoethyl]-methylamino]methyl]-4-methylquinoline-3-carboxylate with MolForge

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Related Compounds

methyl 2-[[[2-(3-fluoroanilino)-2-oxoethyl]-methylamino]methyl]-4-methylquinoline-3-carboxylate
CID 8846540
ethyl 2-[[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]methyl]-4-methylquinoline-3-carboxylate
CID 38510345
methyl 2-[[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]methyl]-4-phenylquinoline-3-carboxylate
CID 8910715
methyl 2-(azocan-1-ylmethyl)-4-methylquinoline-3-carboxylate
CID 8679831
ethyl 2-[[[4-(difluoromethoxy)phenyl]methyl-methylamino]methyl]-4-methylquinoline-3-carboxylate
CID 18285690
methyl 2-[(2-fluorobenzoyl)oxymethyl]-4-methylquinoline-3-carboxylate
CID 8603013
[2-(N-methylanilino)-2-oxoethyl] 2-(methoxymethyl)-4-methylquinoline-3-carboxylate
CID 18144426
methyl 2-[[(3R,5R)-3,5-dimethylpiperidin-1-yl]methyl]-4-methylquinoline-3-carboxylate
CID 8540042
methyl 2-[[2-(2-methoxyphenyl)acetyl]oxymethyl]-4-methylquinoline-3-carboxylate
CID 18225715
methyl acridine-9-carboxylate
CID 21211
(3-methoxycarbonyl-4-methylquinolin-2-yl)methyl-[(S)-phenyl(thiophen-2-yl)methyl]azanium
CID 8864831
methyl 2-[[methyl(2-pyridin-2-ylethyl)amino]methyl]-4-phenylquinoline-3-carboxylate
CID 112799764

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[[2-(dimethylamino)-2-oxoethyl]-methylamino]methyl]-4-methylquinoline-3-carboxylate?
The IUPAC name of methyl 2-[[[2-(dimethylamino)-2-oxoethyl]-methylamino]methyl]-4-methylquinoline-3-carboxylate (CID 8694980) is methyl 2-[[[2-(dimethylamino)-2-oxoethyl]-methylamino]methyl]-4-methylquinoline-3-carboxylate.
What is the SMILES notation for methyl 2-[[[2-(dimethylamino)-2-oxoethyl]-methylamino]methyl]-4-methylquinoline-3-carboxylate?
The canonical SMILES for methyl 2-[[[2-(dimethylamino)-2-oxoethyl]-methylamino]methyl]-4-methylquinoline-3-carboxylate is COC(=O)c1c(CN(C)CC(=O)N(C)C)nc2ccccc2c1C.
What is the InChIKey of methyl 2-[[[2-(dimethylamino)-2-oxoethyl]-methylamino]methyl]-4-methylquinoline-3-carboxylate?
The InChIKey is QQTIDUAWQDKXSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-12-13-8-6-7-9-14(13)19-15(17(12)18(23)24-5)10-21(4)11-16(22)20(2)3/h6-9H,10-11H2,1-5H3.
What are the key properties of methyl 2-[[[2-(dimethylamino)-2-oxoethyl]-methylamino]methyl]-4-methylquinoline-3-carboxylate?
methyl 2-[[[2-(dimethylamino)-2-oxoethyl]-methylamino]methyl]-4-methylquinoline-3-carboxylate has a molecular weight of 329.40 g/mol, XLogP of 1.85, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[[2-(dimethylamino)-2-oxoethyl]-methylamino]methyl]-4-methylquinoline-3-carboxylate is sourced from PubChem (CID 8694980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).