tert-butyl 3-[(4-quinolin-8-yloxybenzoyl)amino]propanoate

C23H24N2O4 — CID 59702180

IUPACtert-butyl 3-[(4-quinolin-8-yloxybenzoyl)amino]propanoate
SMILESCC(C)(C)OC(=O)CCNC(=O)c1ccc(Oc2cccc3cccnc23)cc1
InChIInChI=1S/C23H24N2O4/c1-23(2,3)29-20(26)13-15-25-22(27)17-9-11-18(12-10-17)28-19-8-4-6-16-7-5-14-24-21(16)19/h4-12,14H,13,15H2,1-3H3,(H,25,27)
InChIKeyTYRXOJBNHPSESX-UHFFFAOYSA-N
MW392.45 g/mol
LogP4.49
Rot. Bonds6

About tert-butyl 3-[(4-quinolin-8-yloxybenzoyl)amino]propanoate

tert-butyl 3-[(4-quinolin-8-yloxybenzoyl)amino]propanoate (PubChem CID 59702180) has the molecular formula C23H24N2O4 and a molecular weight of 392.45 g/mol. Its IUPAC name is tert-butyl 3-[(4-quinolin-8-yloxybenzoyl)amino]propanoate.

Molecular Properties

Compound Nametert-butyl 3-[(4-quinolin-8-yloxybenzoyl)amino]propanoate
PubChem CID59702180
Molecular FormulaC23H24N2O4
Molecular Weight392.45 g/mol
Exact Mass392.17
IUPAC Nametert-butyl 3-[(4-quinolin-8-yloxybenzoyl)amino]propanoate
SMILESCC(C)(C)OC(=O)CCNC(=O)c1ccc(Oc2cccc3cccnc23)cc1
InChIInChI=1S/C23H24N2O4/c1-23(2,3)29-20(26)13-15-25-22(27)17-9-11-18(12-10-17)28-19-8-4-6-16-7-5-14-24-21(16)19/h4-12,14H,13,15H2,1-3H3,(H,25,27)
InChIKeyTYRXOJBNHPSESX-UHFFFAOYSA-N
XLogP4.49
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.45
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-quinolin-8-yloxybenzoic acid
CID 28825287
3-[[4-(2-aminoquinolin-8-yl)oxybenzoyl]amino]propanoic acid;tert-butyl 3-[[4-(2-aminoquinolin-8-yl)oxybenzoyl]amino]propanoate;tert-butyl 3-[(4-methoxybenzoyl)amino]propanoate;tert-butyl 3-[(4-quinolin-8-yloxybenzoyl)amino]propanoate;1-hydroxyquinolin-1-ium;8-(4-isocyanophenoxy)quinoline;methane;quinolin-8-ol;4-quinolin-8-yloxybenzoic acid
CID 158182330
tert-butyl 3-(quinolin-8-ylmethylamino)propanoate
CID 103700021
4-methoxy-N-(2-quinolin-8-ylethyl)benzamide
CID 18149251
4-iodo-N-(3-quinolin-8-yloxypropyl)benzamide
CID 56535258
4-fluoro-N-[4-oxo-4-(3-quinolin-8-yloxypropylamino)butyl]benzamide
CID 56543399
4-oxo-4-(4-quinolin-8-yloxyanilino)butanoic acid
CID 166181923
4-(propan-2-ylcarbamoylamino)-N-(3-quinolin-8-yloxypropyl)benzamide
CID 56535262
3-[[4-(2-amino-1-methylbenzimidazol-4-yl)oxybenzoyl]amino]propanoic acid
CID 44591126
4-chloro-N-[4-oxo-4-(3-quinolin-8-yloxypropylamino)butyl]benzamide
CID 56535280
methyl 3-[[4-(4-methoxyphenoxy)benzoyl]amino]propanoate
CID 46989444
tert-butyl N-[2-[(4-phenoxybenzoyl)amino]ethyl]carbamate
CID 16735191

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[(4-quinolin-8-yloxybenzoyl)amino]propanoate?
The IUPAC name of tert-butyl 3-[(4-quinolin-8-yloxybenzoyl)amino]propanoate (CID 59702180) is tert-butyl 3-[(4-quinolin-8-yloxybenzoyl)amino]propanoate.
What is the SMILES notation for tert-butyl 3-[(4-quinolin-8-yloxybenzoyl)amino]propanoate?
The canonical SMILES for tert-butyl 3-[(4-quinolin-8-yloxybenzoyl)amino]propanoate is CC(C)(C)OC(=O)CCNC(=O)c1ccc(Oc2cccc3cccnc23)cc1.
What is the InChIKey of tert-butyl 3-[(4-quinolin-8-yloxybenzoyl)amino]propanoate?
The InChIKey is TYRXOJBNHPSESX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O4/c1-23(2,3)29-20(26)13-15-25-22(27)17-9-11-18(12-10-17)28-19-8-4-6-16-7-5-14-24-21(16)19/h4-12,14H,13,15H2,1-3H3,(H,25,27).
What are the key properties of tert-butyl 3-[(4-quinolin-8-yloxybenzoyl)amino]propanoate?
tert-butyl 3-[(4-quinolin-8-yloxybenzoyl)amino]propanoate has a molecular weight of 392.45 g/mol, XLogP of 4.49, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[(4-quinolin-8-yloxybenzoyl)amino]propanoate is sourced from PubChem (CID 59702180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).