[(2R)-1-oxo-1-(quinolin-5-ylamino)propan-2-yl] 1-methylindole-3-carboxylate

C22H19N3O3 — CID 34021587

IUPAC[(2R)-1-oxo-1-(quinolin-5-ylamino)propan-2-yl] 1-methylindole-3-carboxylate
SMILESC[C@@H](OC(=O)c1cn(C)c2ccccc12)C(=O)Nc1cccc2ncccc12
InChIInChI=1S/C22H19N3O3/c1-14(21(26)24-19-10-5-9-18-16(19)8-6-12-23-18)28-22(27)17-13-25(2)20-11-4-3-7-15(17)20/h3-14H,1-2H3,(H,24,26)/t14-/m1/s1
InChIKeyAVQJQJCNKUNJIG-CQSZACIVSA-N
MW373.41 g/mol
LogP3.91
Rot. Bonds4

About [(2R)-1-oxo-1-(quinolin-5-ylamino)propan-2-yl] 1-methylindole-3-carboxylate

[(2R)-1-oxo-1-(quinolin-5-ylamino)propan-2-yl] 1-methylindole-3-carboxylate (PubChem CID 34021587) has the molecular formula C22H19N3O3 and a molecular weight of 373.41 g/mol. Its IUPAC name is [(2R)-1-oxo-1-(quinolin-5-ylamino)propan-2-yl] 1-methylindole-3-carboxylate.

Molecular Properties

Compound Name[(2R)-1-oxo-1-(quinolin-5-ylamino)propan-2-yl] 1-methylindole-3-carboxylate
PubChem CID34021587
Molecular FormulaC22H19N3O3
Molecular Weight373.41 g/mol
Exact Mass373.14
IUPAC Name[(2R)-1-oxo-1-(quinolin-5-ylamino)propan-2-yl] 1-methylindole-3-carboxylate
SMILESC[C@@H](OC(=O)c1cn(C)c2ccccc12)C(=O)Nc1cccc2ncccc12
InChIInChI=1S/C22H19N3O3/c1-14(21(26)24-19-10-5-9-18-16(19)8-6-12-23-18)28-22(27)17-13-25(2)20-11-4-3-7-15(17)20/h3-14H,1-2H3,(H,24,26)/t14-/m1/s1
InChIKeyAVQJQJCNKUNJIG-CQSZACIVSA-N
XLogP3.91
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1-oxo-1-(quinolin-5-ylamino)propan-2-yl] 3,5-dimethoxybenzoate
CID 55525549
2-phenoxy-N-quinolin-5-ylpropanamide
CID 18076800
2-(1-methylindol-3-yl)-N-quinolin-5-ylacetamide
CID 51055371
[(2S)-1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl] 1-methylindole-3-carboxylate
CID 8816537
[(2S)-1-(naphthalen-2-ylamino)-1-oxopropan-2-yl] 1-methylindole-3-carboxylate
CID 8816900
[1-oxo-1-(quinolin-5-ylamino)propan-2-yl] 3-hydroxy-4-methylbenzoate
CID 55541783
[(2S)-1-amino-1-oxopropan-2-yl] 1-methylindole-3-carboxylate
CID 40518343
[1-(3-nitroanilino)-1-oxopropan-2-yl] 1-methylindole-3-carboxylate
CID 55385435
[1-oxo-1-(quinolin-5-ylamino)propan-2-yl] 3-nitrobenzoate
CID 55524352
2-bromo-N-quinolin-5-ylpropanamide
CID 107902854
[1-oxo-1-(quinolin-5-ylamino)propan-2-yl] 2-(2-chlorophenoxy)acetate
CID 55525762
[1-oxo-1-(quinolin-5-ylamino)propan-2-yl] 2-(2-nitrophenyl)acetate
CID 55525564

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-oxo-1-(quinolin-5-ylamino)propan-2-yl] 1-methylindole-3-carboxylate?
The IUPAC name of [(2R)-1-oxo-1-(quinolin-5-ylamino)propan-2-yl] 1-methylindole-3-carboxylate (CID 34021587) is [(2R)-1-oxo-1-(quinolin-5-ylamino)propan-2-yl] 1-methylindole-3-carboxylate.
What is the SMILES notation for [(2R)-1-oxo-1-(quinolin-5-ylamino)propan-2-yl] 1-methylindole-3-carboxylate?
The canonical SMILES for [(2R)-1-oxo-1-(quinolin-5-ylamino)propan-2-yl] 1-methylindole-3-carboxylate is C[C@@H](OC(=O)c1cn(C)c2ccccc12)C(=O)Nc1cccc2ncccc12.
What is the InChIKey of [(2R)-1-oxo-1-(quinolin-5-ylamino)propan-2-yl] 1-methylindole-3-carboxylate?
The InChIKey is AVQJQJCNKUNJIG-CQSZACIVSA-N. The full InChI is InChI=1S/C22H19N3O3/c1-14(21(26)24-19-10-5-9-18-16(19)8-6-12-23-18)28-22(27)17-13-25(2)20-11-4-3-7-15(17)20/h3-14H,1-2H3,(H,24,26)/t14-/m1/s1.
What are the key properties of [(2R)-1-oxo-1-(quinolin-5-ylamino)propan-2-yl] 1-methylindole-3-carboxylate?
[(2R)-1-oxo-1-(quinolin-5-ylamino)propan-2-yl] 1-methylindole-3-carboxylate has a molecular weight of 373.41 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-oxo-1-(quinolin-5-ylamino)propan-2-yl] 1-methylindole-3-carboxylate is sourced from PubChem (CID 34021587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).