[2-oxo-2-(quinolin-5-ylamino)ethyl] 5,7-dimethoxy-1H-indole-2-carboxylate

C22H19N3O5 — CID 46543109

IUPAC[2-oxo-2-(quinolin-5-ylamino)ethyl] 5,7-dimethoxy-1H-indole-2-carboxylate
SMILESCOc1cc(OC)c2[nH]c(C(=O)OCC(=O)Nc3cccc4ncccc34)cc2c1
InChIInChI=1S/C22H19N3O5/c1-28-14-9-13-10-18(25-21(13)19(11-14)29-2)22(27)30-12-20(26)24-17-7-3-6-16-15(17)5-4-8-23-16/h3-11,25H,12H2,1-2H3,(H,24,26)
InChIKeyIMVPGOYLEAVZDP-UHFFFAOYSA-N
MW405.41 g/mol
LogP3.53
Rot. Bonds6

About [2-oxo-2-(quinolin-5-ylamino)ethyl] 5,7-dimethoxy-1H-indole-2-carboxylate

[2-oxo-2-(quinolin-5-ylamino)ethyl] 5,7-dimethoxy-1H-indole-2-carboxylate (PubChem CID 46543109) has the molecular formula C22H19N3O5 and a molecular weight of 405.41 g/mol. Its IUPAC name is [2-oxo-2-(quinolin-5-ylamino)ethyl] 5,7-dimethoxy-1H-indole-2-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-(quinolin-5-ylamino)ethyl] 5,7-dimethoxy-1H-indole-2-carboxylate
PubChem CID46543109
Molecular FormulaC22H19N3O5
Molecular Weight405.41 g/mol
Exact Mass405.13
IUPAC Name[2-oxo-2-(quinolin-5-ylamino)ethyl] 5,7-dimethoxy-1H-indole-2-carboxylate
SMILESCOc1cc(OC)c2[nH]c(C(=O)OCC(=O)Nc3cccc4ncccc34)cc2c1
InChIInChI=1S/C22H19N3O5/c1-28-14-9-13-10-18(25-21(13)19(11-14)29-2)22(27)30-12-20(26)24-17-7-3-6-16-15(17)5-4-8-23-16/h3-11,25H,12H2,1-2H3,(H,24,26)
InChIKeyIMVPGOYLEAVZDP-UHFFFAOYSA-N
XLogP3.53
TPSA102.54 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.41
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[2-oxo-2-(quinolin-5-ylamino)ethyl] 4-methoxybenzoate
CID 41332969
[2-[(4-methoxyphenyl)carbamoylamino]-2-oxoethyl] 5,7-dimethoxy-1H-indole-2-carboxylate
CID 46531872
[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] 5,7-dimethoxy-1H-indole-2-carboxylate
CID 46531869
[2-oxo-2-(quinolin-5-ylamino)ethyl] naphthalene-2-carboxylate
CID 17485524
[2-oxo-2-(quinolin-5-ylamino)ethyl] 3,5-dimethylbenzoate
CID 41352483
N-quinolin-5-yl-2-(3,4,5-trimethoxyphenyl)acetamide
CID 8873348
[2-oxo-2-(quinolin-5-ylamino)ethyl] 2,5-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate
CID 24686471
methyl 1H-pyrrolo[2,3-f]quinoline-2-carboxylate
CID 15629233
[2-oxo-2-(quinolin-5-ylamino)ethyl] 4-methyl-3-nitrobenzoate
CID 41353083
[2-[N-(cyanomethyl)anilino]-2-oxoethyl] 5,7-dimethoxy-1H-indole-2-carboxylate
CID 46543094
2-[cyclopropyl-[(2,5-dimethoxyphenyl)methyl]amino]-N-quinolin-5-ylacetamide
CID 34982278
2-(2-ethylphenoxy)-N-quinolin-5-ylacetamide
CID 2524325

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(quinolin-5-ylamino)ethyl] 5,7-dimethoxy-1H-indole-2-carboxylate?
The IUPAC name of [2-oxo-2-(quinolin-5-ylamino)ethyl] 5,7-dimethoxy-1H-indole-2-carboxylate (CID 46543109) is [2-oxo-2-(quinolin-5-ylamino)ethyl] 5,7-dimethoxy-1H-indole-2-carboxylate.
What is the SMILES notation for [2-oxo-2-(quinolin-5-ylamino)ethyl] 5,7-dimethoxy-1H-indole-2-carboxylate?
The canonical SMILES for [2-oxo-2-(quinolin-5-ylamino)ethyl] 5,7-dimethoxy-1H-indole-2-carboxylate is COc1cc(OC)c2[nH]c(C(=O)OCC(=O)Nc3cccc4ncccc34)cc2c1.
What is the InChIKey of [2-oxo-2-(quinolin-5-ylamino)ethyl] 5,7-dimethoxy-1H-indole-2-carboxylate?
The InChIKey is IMVPGOYLEAVZDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O5/c1-28-14-9-13-10-18(25-21(13)19(11-14)29-2)22(27)30-12-20(26)24-17-7-3-6-16-15(17)5-4-8-23-16/h3-11,25H,12H2,1-2H3,(H,24,26).
What are the key properties of [2-oxo-2-(quinolin-5-ylamino)ethyl] 5,7-dimethoxy-1H-indole-2-carboxylate?
[2-oxo-2-(quinolin-5-ylamino)ethyl] 5,7-dimethoxy-1H-indole-2-carboxylate has a molecular weight of 405.41 g/mol, XLogP of 3.53, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(quinolin-5-ylamino)ethyl] 5,7-dimethoxy-1H-indole-2-carboxylate is sourced from PubChem (CID 46543109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).