[1-oxo-1-(quinolin-5-ylamino)propan-2-yl] 3,5-dimethoxybenzoate

C21H20N2O5 — CID 55525549

IUPAC[1-oxo-1-(quinolin-5-ylamino)propan-2-yl] 3,5-dimethoxybenzoate
SMILESCOc1cc(OC)cc(C(=O)OC(C)C(=O)Nc2cccc3ncccc23)c1
InChIInChI=1S/C21H20N2O5/c1-13(28-21(25)14-10-15(26-2)12-16(11-14)27-3)20(24)23-19-8-4-7-18-17(19)6-5-9-22-18/h4-13H,1-3H3,(H,23,24)
InChIKeyROAVLYPXONRHIB-UHFFFAOYSA-N
MW380.40 g/mol
LogP3.44
Rot. Bonds6

About [1-oxo-1-(quinolin-5-ylamino)propan-2-yl] 3,5-dimethoxybenzoate

[1-oxo-1-(quinolin-5-ylamino)propan-2-yl] 3,5-dimethoxybenzoate (PubChem CID 55525549) has the molecular formula C21H20N2O5 and a molecular weight of 380.40 g/mol. Its IUPAC name is [1-oxo-1-(quinolin-5-ylamino)propan-2-yl] 3,5-dimethoxybenzoate.

Molecular Properties

Compound Name[1-oxo-1-(quinolin-5-ylamino)propan-2-yl] 3,5-dimethoxybenzoate
PubChem CID55525549
Molecular FormulaC21H20N2O5
Molecular Weight380.40 g/mol
Exact Mass380.14
IUPAC Name[1-oxo-1-(quinolin-5-ylamino)propan-2-yl] 3,5-dimethoxybenzoate
SMILESCOc1cc(OC)cc(C(=O)OC(C)C(=O)Nc2cccc3ncccc23)c1
InChIInChI=1S/C21H20N2O5/c1-13(28-21(25)14-10-15(26-2)12-16(11-14)27-3)20(24)23-19-8-4-7-18-17(19)6-5-9-22-18/h4-13H,1-3H3,(H,23,24)
InChIKeyROAVLYPXONRHIB-UHFFFAOYSA-N
XLogP3.44
TPSA86.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.40
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[1-oxo-1-(quinolin-5-ylamino)propan-2-yl] 3-bromo-4-ethoxy-5-methoxybenzoate
CID 55526192
[1-oxo-1-(quinolin-5-ylamino)propan-2-yl] 3-hydroxy-4-methylbenzoate
CID 55541783
[1-oxo-1-(quinolin-5-ylamino)propan-2-yl] 3-nitrobenzoate
CID 55524352
3,5-dimethoxy-N-(quinolin-5-ylcarbamothioyl)benzamide
CID 3933855
[1-oxo-1-(quinolin-5-ylamino)propan-2-yl] 2-[(4-methoxybenzoyl)amino]acetate
CID 55525664
[1-oxo-1-(quinolin-5-ylamino)propan-2-yl] (E)-3-(2,4-dimethoxyphenyl)prop-2-enoate
CID 55525148
2-phenoxy-N-quinolin-5-ylpropanamide
CID 18076800
[(2R)-1-oxo-1-(quinolin-5-ylamino)propan-2-yl] 1-methylindole-3-carboxylate
CID 34021587
[(2R)-1-oxo-1-(quinolin-5-ylamino)propan-2-yl] 2-benzyl-1,3-dioxoisoindole-5-carboxylate
CID 51931560
2-bromo-N-quinolin-5-ylpropanamide
CID 107902854
[(2R)-1-(4-acetamidoanilino)-1-oxopropan-2-yl] 3,5-dimethoxybenzoate
CID 2365218
methyl N-quinolin-5-ylcarbamate
CID 110734012

Frequently Asked Questions

What is the IUPAC name of [1-oxo-1-(quinolin-5-ylamino)propan-2-yl] 3,5-dimethoxybenzoate?
The IUPAC name of [1-oxo-1-(quinolin-5-ylamino)propan-2-yl] 3,5-dimethoxybenzoate (CID 55525549) is [1-oxo-1-(quinolin-5-ylamino)propan-2-yl] 3,5-dimethoxybenzoate.
What is the SMILES notation for [1-oxo-1-(quinolin-5-ylamino)propan-2-yl] 3,5-dimethoxybenzoate?
The canonical SMILES for [1-oxo-1-(quinolin-5-ylamino)propan-2-yl] 3,5-dimethoxybenzoate is COc1cc(OC)cc(C(=O)OC(C)C(=O)Nc2cccc3ncccc23)c1.
What is the InChIKey of [1-oxo-1-(quinolin-5-ylamino)propan-2-yl] 3,5-dimethoxybenzoate?
The InChIKey is ROAVLYPXONRHIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O5/c1-13(28-21(25)14-10-15(26-2)12-16(11-14)27-3)20(24)23-19-8-4-7-18-17(19)6-5-9-22-18/h4-13H,1-3H3,(H,23,24).
What are the key properties of [1-oxo-1-(quinolin-5-ylamino)propan-2-yl] 3,5-dimethoxybenzoate?
[1-oxo-1-(quinolin-5-ylamino)propan-2-yl] 3,5-dimethoxybenzoate has a molecular weight of 380.40 g/mol, XLogP of 3.44, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-oxo-1-(quinolin-5-ylamino)propan-2-yl] 3,5-dimethoxybenzoate is sourced from PubChem (CID 55525549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).