tert-butyl 2-[2-(dimethylamino)ethyl-(2-methylquinoline-4-carbonyl)amino]acetate

C21H29N3O3 — CID 60618046

IUPACtert-butyl 2-[2-(dimethylamino)ethyl-(2-methylquinoline-4-carbonyl)amino]acetate
SMILESCc1cc(C(=O)N(CCN(C)C)CC(=O)OC(C)(C)C)c2ccccc2n1
InChIInChI=1S/C21H29N3O3/c1-15-13-17(16-9-7-8-10-18(16)22-15)20(26)24(12-11-23(5)6)14-19(25)27-21(2,3)4/h7-10,13H,11-12,14H2,1-6H3
InChIKeyZEZMQTMFMLLBIG-UHFFFAOYSA-N
MW371.48 g/mol
LogP2.89
Rot. Bonds6

About tert-butyl 2-[2-(dimethylamino)ethyl-(2-methylquinoline-4-carbonyl)amino]acetate

tert-butyl 2-[2-(dimethylamino)ethyl-(2-methylquinoline-4-carbonyl)amino]acetate (PubChem CID 60618046) has the molecular formula C21H29N3O3 and a molecular weight of 371.48 g/mol. Its IUPAC name is tert-butyl 2-[2-(dimethylamino)ethyl-(2-methylquinoline-4-carbonyl)amino]acetate.

Molecular Properties

Compound Nametert-butyl 2-[2-(dimethylamino)ethyl-(2-methylquinoline-4-carbonyl)amino]acetate
PubChem CID60618046
Molecular FormulaC21H29N3O3
Molecular Weight371.48 g/mol
Exact Mass371.22
IUPAC Nametert-butyl 2-[2-(dimethylamino)ethyl-(2-methylquinoline-4-carbonyl)amino]acetate
SMILESCc1cc(C(=O)N(CCN(C)C)CC(=O)OC(C)(C)C)c2ccccc2n1
InChIInChI=1S/C21H29N3O3/c1-15-13-17(16-9-7-8-10-18(16)22-15)20(26)24(12-11-23(5)6)14-19(25)27-21(2,3)4/h7-10,13H,11-12,14H2,1-6H3
InChIKeyZEZMQTMFMLLBIG-UHFFFAOYSA-N
XLogP2.89
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.48
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-2-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]quinoline-4-carboxamide
CID 24529352
N,2-dimethyl-N-(2-methylpropyl)quinoline-4-carboxamide
CID 134005837
N-[[(3R,4S,5R)-4,5-dihydroxyoxan-3-yl]methyl]-2-methyl-N-propylquinoline-4-carboxamide
CID 155996678
2-amino-N-[2-(dimethylamino)ethyl]-N-methylquinoline-4-carboxamide
CID 63727745
tert-butyl 2-[2-(dimethylamino)ethyl-(5-ethylfuran-2-carbonyl)amino]acetate
CID 52842611
N-(3-aminopropyl)-2-methyl-N-propan-2-ylquinoline-4-carboxamide
CID 43319257
N-[2-(3-methoxypropylamino)-2-oxoethyl]-N,2-dimethylquinoline-4-carboxamide
CID 51098155
2-methoxy-1-(2-methylquinolin-4-yl)ethanone
CID 105115074
tert-butyl 2-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)-[2-(dimethylamino)ethyl]amino]acetate
CID 60618706
tert-butyl 2-[2-(dimethylamino)ethyl-[4-[3-(trifluoromethyl)diazirin-3-yl]benzoyl]amino]acetate
CID 167856207
3-methyl-1-(2-methylquinolin-4-yl)but-3-en-1-one
CID 105112623
2-amino-N,N-diethylquinoline-4-carboxamide
CID 62155871

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[2-(dimethylamino)ethyl-(2-methylquinoline-4-carbonyl)amino]acetate?
The IUPAC name of tert-butyl 2-[2-(dimethylamino)ethyl-(2-methylquinoline-4-carbonyl)amino]acetate (CID 60618046) is tert-butyl 2-[2-(dimethylamino)ethyl-(2-methylquinoline-4-carbonyl)amino]acetate.
What is the SMILES notation for tert-butyl 2-[2-(dimethylamino)ethyl-(2-methylquinoline-4-carbonyl)amino]acetate?
The canonical SMILES for tert-butyl 2-[2-(dimethylamino)ethyl-(2-methylquinoline-4-carbonyl)amino]acetate is Cc1cc(C(=O)N(CCN(C)C)CC(=O)OC(C)(C)C)c2ccccc2n1.
What is the InChIKey of tert-butyl 2-[2-(dimethylamino)ethyl-(2-methylquinoline-4-carbonyl)amino]acetate?
The InChIKey is ZEZMQTMFMLLBIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O3/c1-15-13-17(16-9-7-8-10-18(16)22-15)20(26)24(12-11-23(5)6)14-19(25)27-21(2,3)4/h7-10,13H,11-12,14H2,1-6H3.
What are the key properties of tert-butyl 2-[2-(dimethylamino)ethyl-(2-methylquinoline-4-carbonyl)amino]acetate?
tert-butyl 2-[2-(dimethylamino)ethyl-(2-methylquinoline-4-carbonyl)amino]acetate has a molecular weight of 371.48 g/mol, XLogP of 2.89, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[2-(dimethylamino)ethyl-(2-methylquinoline-4-carbonyl)amino]acetate is sourced from PubChem (CID 60618046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).