[1-oxo-1-(quinolin-5-ylamino)propan-2-yl] 3-hydroxy-4-methylbenzoate

C20H18N2O4 — CID 55541783

IUPAC[1-oxo-1-(quinolin-5-ylamino)propan-2-yl] 3-hydroxy-4-methylbenzoate
SMILESCc1ccc(C(=O)OC(C)C(=O)Nc2cccc3ncccc23)cc1O
InChIInChI=1S/C20H18N2O4/c1-12-8-9-14(11-18(12)23)20(25)26-13(2)19(24)22-17-7-3-6-16-15(17)5-4-10-21-16/h3-11,13,23H,1-2H3,(H,22,24)
InChIKeyVSLHVEQDLVXASL-UHFFFAOYSA-N
MW350.37 g/mol
LogP3.43
Rot. Bonds4

About [1-oxo-1-(quinolin-5-ylamino)propan-2-yl] 3-hydroxy-4-methylbenzoate

[1-oxo-1-(quinolin-5-ylamino)propan-2-yl] 3-hydroxy-4-methylbenzoate (PubChem CID 55541783) has the molecular formula C20H18N2O4 and a molecular weight of 350.37 g/mol. Its IUPAC name is [1-oxo-1-(quinolin-5-ylamino)propan-2-yl] 3-hydroxy-4-methylbenzoate.

Molecular Properties

Compound Name[1-oxo-1-(quinolin-5-ylamino)propan-2-yl] 3-hydroxy-4-methylbenzoate
PubChem CID55541783
Molecular FormulaC20H18N2O4
Molecular Weight350.37 g/mol
Exact Mass350.13
IUPAC Name[1-oxo-1-(quinolin-5-ylamino)propan-2-yl] 3-hydroxy-4-methylbenzoate
SMILESCc1ccc(C(=O)OC(C)C(=O)Nc2cccc3ncccc23)cc1O
InChIInChI=1S/C20H18N2O4/c1-12-8-9-14(11-18(12)23)20(25)26-13(2)19(24)22-17-7-3-6-16-15(17)5-4-10-21-16/h3-11,13,23H,1-2H3,(H,22,24)
InChIKeyVSLHVEQDLVXASL-UHFFFAOYSA-N
XLogP3.43
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.37
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[1-oxo-1-(quinolin-5-ylamino)propan-2-yl] 3,5-dimethoxybenzoate
CID 55525549
[1-oxo-1-(quinolin-5-ylamino)propan-2-yl] 3-nitrobenzoate
CID 55524352
[(2R)-1-oxo-1-(quinolin-5-ylamino)propan-2-yl] 2-benzyl-1,3-dioxoisoindole-5-carboxylate
CID 51931560
[1-(2-acetylanilino)-1-oxopropan-2-yl] 3-hydroxy-4-methylbenzoate
CID 17417404
[1-oxo-1-(quinolin-5-ylamino)propan-2-yl] 3-bromo-4-ethoxy-5-methoxybenzoate
CID 55526192
[(2R)-1-oxo-1-(quinolin-5-ylamino)propan-2-yl] 1-methylindole-3-carboxylate
CID 34021587
[1-oxo-1-(quinolin-5-ylamino)propan-2-yl] 2,2-dioxo-3,4-dihydro-[1,2,4]thiadiazino[3,4-b][1,3]benzothiazole-8-carboxylate
CID 55523777
2-phenoxy-N-quinolin-5-ylpropanamide
CID 18076800
[1-oxo-1-(2,4,6-trimethylanilino)propan-2-yl] 3-hydroxy-4-methylbenzoate
CID 46660481
2-bromo-N-quinolin-5-ylpropanamide
CID 107902854
[(2S)-1-(2-methoxy-5-methylanilino)-1-oxopropan-2-yl] 3-hydroxy-4-methylbenzoate
CID 40812049
[(2S)-1-(2-methylanilino)-1-oxopropan-2-yl] 3-hydroxybenzoate
CID 41291596

Frequently Asked Questions

What is the IUPAC name of [1-oxo-1-(quinolin-5-ylamino)propan-2-yl] 3-hydroxy-4-methylbenzoate?
The IUPAC name of [1-oxo-1-(quinolin-5-ylamino)propan-2-yl] 3-hydroxy-4-methylbenzoate (CID 55541783) is [1-oxo-1-(quinolin-5-ylamino)propan-2-yl] 3-hydroxy-4-methylbenzoate.
What is the SMILES notation for [1-oxo-1-(quinolin-5-ylamino)propan-2-yl] 3-hydroxy-4-methylbenzoate?
The canonical SMILES for [1-oxo-1-(quinolin-5-ylamino)propan-2-yl] 3-hydroxy-4-methylbenzoate is Cc1ccc(C(=O)OC(C)C(=O)Nc2cccc3ncccc23)cc1O.
What is the InChIKey of [1-oxo-1-(quinolin-5-ylamino)propan-2-yl] 3-hydroxy-4-methylbenzoate?
The InChIKey is VSLHVEQDLVXASL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O4/c1-12-8-9-14(11-18(12)23)20(25)26-13(2)19(24)22-17-7-3-6-16-15(17)5-4-10-21-16/h3-11,13,23H,1-2H3,(H,22,24).
What are the key properties of [1-oxo-1-(quinolin-5-ylamino)propan-2-yl] 3-hydroxy-4-methylbenzoate?
[1-oxo-1-(quinolin-5-ylamino)propan-2-yl] 3-hydroxy-4-methylbenzoate has a molecular weight of 350.37 g/mol, XLogP of 3.43, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-oxo-1-(quinolin-5-ylamino)propan-2-yl] 3-hydroxy-4-methylbenzoate is sourced from PubChem (CID 55541783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).