tert-butyl 2-[(7-ethoxyquinoline-4-carbonyl)amino]acetate

C18H22N2O4 — CID 174250162

IUPACtert-butyl 2-[(7-ethoxyquinoline-4-carbonyl)amino]acetate
SMILESCCOc1ccc2c(C(=O)NCC(=O)OC(C)(C)C)ccnc2c1
InChIInChI=1S/C18H22N2O4/c1-5-23-12-6-7-13-14(8-9-19-15(13)10-12)17(22)20-11-16(21)24-18(2,3)4/h6-10H,5,11H2,1-4H3,(H,20,22)
InChIKeyGDZGGJGDHGDXSU-UHFFFAOYSA-N
MW330.38 g/mol
LogP2.70
Rot. Bonds5

About tert-butyl 2-[(7-ethoxyquinoline-4-carbonyl)amino]acetate

tert-butyl 2-[(7-ethoxyquinoline-4-carbonyl)amino]acetate (PubChem CID 174250162) has the molecular formula C18H22N2O4 and a molecular weight of 330.38 g/mol. Its IUPAC name is tert-butyl 2-[(7-ethoxyquinoline-4-carbonyl)amino]acetate.

Molecular Properties

Compound Nametert-butyl 2-[(7-ethoxyquinoline-4-carbonyl)amino]acetate
PubChem CID174250162
Molecular FormulaC18H22N2O4
Molecular Weight330.38 g/mol
Exact Mass330.16
IUPAC Nametert-butyl 2-[(7-ethoxyquinoline-4-carbonyl)amino]acetate
SMILESCCOc1ccc2c(C(=O)NCC(=O)OC(C)(C)C)ccnc2c1
InChIInChI=1S/C18H22N2O4/c1-5-23-12-6-7-13-14(8-9-19-15(13)10-12)17(22)20-11-16(21)24-18(2,3)4/h6-10H,5,11H2,1-4H3,(H,20,22)
InChIKeyGDZGGJGDHGDXSU-UHFFFAOYSA-N
XLogP2.70
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl 2-[[7-(trifluoromethyl)quinoline-4-carbonyl]amino]acetate
CID 170539767
2-[[6-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propoxy]quinoline-4-carbonyl]amino]acetic acid
CID 146810072
2-[[7-(2-oxo-2-phenylmethoxyethoxy)quinoline-4-carbonyl]amino]acetic acid
CID 170747979
4-[(7-ethoxyquinolin-4-yl)amino]benzoic acid
CID 66487281
tert-butyl 2-[(4-methoxybenzoyl)amino]acetate
CID 135045716
4-bromo-7-ethoxyquinoline
CID 119087799
4-amino-7-ethoxyquinoline-3-carbohydrazide
CID 66487236
tert-butyl 1-[4-[(2-methoxy-2-oxoethyl)carbamoyl]quinolin-6-yl]triazole-4-carboxylate
CID 166485702
6-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propoxy]quinoline-4-carboxylic acid
CID 165399886
methyl 7-(trifluoromethoxy)quinoline-4-carboxylate
CID 53418982
methyl 4-[(7-ethoxyquinolin-4-yl)amino]benzoate
CID 66487273
tert-butyl 2-[(2-chlorobenzoyl)amino]acetate
CID 78966461

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[(7-ethoxyquinoline-4-carbonyl)amino]acetate?
The IUPAC name of tert-butyl 2-[(7-ethoxyquinoline-4-carbonyl)amino]acetate (CID 174250162) is tert-butyl 2-[(7-ethoxyquinoline-4-carbonyl)amino]acetate.
What is the SMILES notation for tert-butyl 2-[(7-ethoxyquinoline-4-carbonyl)amino]acetate?
The canonical SMILES for tert-butyl 2-[(7-ethoxyquinoline-4-carbonyl)amino]acetate is CCOc1ccc2c(C(=O)NCC(=O)OC(C)(C)C)ccnc2c1.
What is the InChIKey of tert-butyl 2-[(7-ethoxyquinoline-4-carbonyl)amino]acetate?
The InChIKey is GDZGGJGDHGDXSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4/c1-5-23-12-6-7-13-14(8-9-19-15(13)10-12)17(22)20-11-16(21)24-18(2,3)4/h6-10H,5,11H2,1-4H3,(H,20,22).
What are the key properties of tert-butyl 2-[(7-ethoxyquinoline-4-carbonyl)amino]acetate?
tert-butyl 2-[(7-ethoxyquinoline-4-carbonyl)amino]acetate has a molecular weight of 330.38 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[(7-ethoxyquinoline-4-carbonyl)amino]acetate is sourced from PubChem (CID 174250162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).