[1-oxo-1-(quinolin-5-ylamino)propan-2-yl] 2-[(4-methoxybenzoyl)amino]acetate

C22H21N3O5 — CID 55525664

IUPAC[1-oxo-1-(quinolin-5-ylamino)propan-2-yl] 2-[(4-methoxybenzoyl)amino]acetate
SMILESCOc1ccc(C(=O)NCC(=O)OC(C)C(=O)Nc2cccc3ncccc23)cc1
InChIInChI=1S/C22H21N3O5/c1-14(21(27)25-19-7-3-6-18-17(19)5-4-12-23-18)30-20(26)13-24-22(28)15-8-10-16(29-2)11-9-15/h3-12,14H,13H2,1-2H3,(H,24,28)(H,25,27)
InChIKeyLQMXMDHZROUNSA-UHFFFAOYSA-N
MW407.43 g/mol
LogP2.54
Rot. Bonds7

About [1-oxo-1-(quinolin-5-ylamino)propan-2-yl] 2-[(4-methoxybenzoyl)amino]acetate

[1-oxo-1-(quinolin-5-ylamino)propan-2-yl] 2-[(4-methoxybenzoyl)amino]acetate (PubChem CID 55525664) has the molecular formula C22H21N3O5 and a molecular weight of 407.43 g/mol. Its IUPAC name is [1-oxo-1-(quinolin-5-ylamino)propan-2-yl] 2-[(4-methoxybenzoyl)amino]acetate.

Molecular Properties

Compound Name[1-oxo-1-(quinolin-5-ylamino)propan-2-yl] 2-[(4-methoxybenzoyl)amino]acetate
PubChem CID55525664
Molecular FormulaC22H21N3O5
Molecular Weight407.43 g/mol
Exact Mass407.15
IUPAC Name[1-oxo-1-(quinolin-5-ylamino)propan-2-yl] 2-[(4-methoxybenzoyl)amino]acetate
SMILESCOc1ccc(C(=O)NCC(=O)OC(C)C(=O)Nc2cccc3ncccc23)cc1
InChIInChI=1S/C22H21N3O5/c1-14(21(27)25-19-7-3-6-18-17(19)5-4-12-23-18)30-20(26)13-24-22(28)15-8-10-16(29-2)11-9-15/h3-12,14H,13H2,1-2H3,(H,24,28)(H,25,27)
InChIKeyLQMXMDHZROUNSA-UHFFFAOYSA-N
XLogP2.54
TPSA106.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.43
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [1-oxo-1-(quinolin-5-ylamino)propan-2-yl] 2-[(4-methoxybenzoyl)amino]acetate with MolForge

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Related Compounds

[1-oxo-1-(quinolin-5-ylamino)propan-2-yl] 3,5-dimethoxybenzoate
CID 55525549
[(2R)-1-(naphthalen-1-ylamino)-1-oxopropan-2-yl] 2-[(4-chlorobenzoyl)amino]acetate
CID 7878949
[(2S)-1-(3-acetylanilino)-1-oxopropan-2-yl] 2-[(4-methoxybenzoyl)amino]acetate
CID 7831456
[(2R)-1-(4-methoxyanilino)-1-oxopropan-2-yl] 2-[(4-tert-butylbenzoyl)amino]acetate
CID 7709194
[(2S)-1-(4-methoxyanilino)-1-oxopropan-2-yl] 2-[(4-tert-butylbenzoyl)amino]acetate
CID 7709193
[(2R)-1-(4-carbamoylanilino)-1-oxopropan-2-yl] 2-[(4-methoxybenzoyl)amino]acetate
CID 8788358
[1-oxo-1-(quinolin-5-ylamino)propan-2-yl] (E)-3-(2,4-dimethoxyphenyl)prop-2-enoate
CID 55525148
[1-oxo-1-(quinolin-5-ylamino)propan-2-yl] 2-(2-nitrophenyl)acetate
CID 55525564
[1-oxo-1-(quinolin-5-ylamino)propan-2-yl] 2-(2-chlorophenoxy)acetate
CID 55525762
2-phenoxy-N-quinolin-5-ylpropanamide
CID 18076800
[2-oxo-2-(quinolin-5-ylamino)ethyl] 4-methoxybenzoate
CID 41332969
[1-oxo-1-(quinolin-5-ylamino)propan-2-yl] 3-bromo-4-ethoxy-5-methoxybenzoate
CID 55526192

Frequently Asked Questions

What is the IUPAC name of [1-oxo-1-(quinolin-5-ylamino)propan-2-yl] 2-[(4-methoxybenzoyl)amino]acetate?
The IUPAC name of [1-oxo-1-(quinolin-5-ylamino)propan-2-yl] 2-[(4-methoxybenzoyl)amino]acetate (CID 55525664) is [1-oxo-1-(quinolin-5-ylamino)propan-2-yl] 2-[(4-methoxybenzoyl)amino]acetate.
What is the SMILES notation for [1-oxo-1-(quinolin-5-ylamino)propan-2-yl] 2-[(4-methoxybenzoyl)amino]acetate?
The canonical SMILES for [1-oxo-1-(quinolin-5-ylamino)propan-2-yl] 2-[(4-methoxybenzoyl)amino]acetate is COc1ccc(C(=O)NCC(=O)OC(C)C(=O)Nc2cccc3ncccc23)cc1.
What is the InChIKey of [1-oxo-1-(quinolin-5-ylamino)propan-2-yl] 2-[(4-methoxybenzoyl)amino]acetate?
The InChIKey is LQMXMDHZROUNSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O5/c1-14(21(27)25-19-7-3-6-18-17(19)5-4-12-23-18)30-20(26)13-24-22(28)15-8-10-16(29-2)11-9-15/h3-12,14H,13H2,1-2H3,(H,24,28)(H,25,27).
What are the key properties of [1-oxo-1-(quinolin-5-ylamino)propan-2-yl] 2-[(4-methoxybenzoyl)amino]acetate?
[1-oxo-1-(quinolin-5-ylamino)propan-2-yl] 2-[(4-methoxybenzoyl)amino]acetate has a molecular weight of 407.43 g/mol, XLogP of 2.54, 7 rotatable bonds, 2 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] 2-[(4-methoxybenzoyl)amino]acetate is sourced from PubChem (CID 55525664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).