[2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] 2-phenylquinoline-4-carboxylate

C24H19N3O4 — CID 7866853

IUPAC[2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] 2-phenylquinoline-4-carboxylate
SMILESCn1cccc1C(=O)NC(=O)COC(=O)c1cc(-c2ccccc2)nc2ccccc12
InChIInChI=1S/C24H19N3O4/c1-27-13-7-12-21(27)23(29)26-22(28)15-31-24(30)18-14-20(16-8-3-2-4-9-16)25-19-11-6-5-10-17(18)19/h2-14H,15H2,1H3,(H,26,28,29)
InChIKeyUFXWSCXJAABAIP-UHFFFAOYSA-N
MW413.43 g/mol
LogP3.35
Rot. Bonds5

About [2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] 2-phenylquinoline-4-carboxylate

[2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] 2-phenylquinoline-4-carboxylate (PubChem CID 7866853) has the molecular formula C24H19N3O4 and a molecular weight of 413.43 g/mol. Its IUPAC name is [2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] 2-phenylquinoline-4-carboxylate.

Molecular Properties

Compound Name[2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] 2-phenylquinoline-4-carboxylate
PubChem CID7866853
Molecular FormulaC24H19N3O4
Molecular Weight413.43 g/mol
Exact Mass413.14
IUPAC Name[2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] 2-phenylquinoline-4-carboxylate
SMILESCn1cccc1C(=O)NC(=O)COC(=O)c1cc(-c2ccccc2)nc2ccccc12
InChIInChI=1S/C24H19N3O4/c1-27-13-7-12-21(27)23(29)26-22(28)15-31-24(30)18-14-20(16-8-3-2-4-9-16)25-19-11-6-5-10-17(18)19/h2-14H,15H2,1H3,(H,26,28,29)
InChIKeyUFXWSCXJAABAIP-UHFFFAOYSA-N
XLogP3.35
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.43
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] 2-(5-chlorothiophen-2-yl)quinoline-4-carboxylate
CID 2438228
[2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] 1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 26059831
[2-[(2-methoxybenzoyl)amino]-2-oxoethyl] 2-(4-fluorophenyl)quinoline-4-carboxylate
CID 35832298
[2-(cyclohexanecarbonylamino)-2-oxoethyl] 2-phenylquinoline-4-carboxylate
CID 55318819
2-oxopropyl 2-(4-phenylphenyl)quinoline-4-carboxylate
CID 3948184
[2-(1-methylpyrrol-2-yl)-2-oxoethyl] 2-(5-methylfuran-2-yl)quinoline-4-carboxylate
CID 31100397
(2-benzamido-2-oxoethyl) 2-(3,4-dimethoxyphenyl)quinoline-4-carboxylate
CID 42968678
[2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] 2-(4-methylquinolin-2-yl)sulfanylacetate
CID 7175203
2-chloroprop-2-enyl 2-phenylquinoline-4-carboxylate
CID 16569364
[2-(2-methoxyethylcarbamoylamino)-2-oxoethyl] 2-(4-chlorophenyl)quinoline-4-carboxylate
CID 2651071
[2-(benzylamino)-2-oxoethyl] 2-(4-methoxyphenyl)quinoline-4-carboxylate
CID 2335668
[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 2-(4-methylphenyl)quinoline-4-carboxylate
CID 2092256

Frequently Asked Questions

What is the IUPAC name of [2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] 2-phenylquinoline-4-carboxylate?
The IUPAC name of [2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] 2-phenylquinoline-4-carboxylate (CID 7866853) is [2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] 2-phenylquinoline-4-carboxylate.
What is the SMILES notation for [2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] 2-phenylquinoline-4-carboxylate?
The canonical SMILES for [2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] 2-phenylquinoline-4-carboxylate is Cn1cccc1C(=O)NC(=O)COC(=O)c1cc(-c2ccccc2)nc2ccccc12.
What is the InChIKey of [2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] 2-phenylquinoline-4-carboxylate?
The InChIKey is UFXWSCXJAABAIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N3O4/c1-27-13-7-12-21(27)23(29)26-22(28)15-31-24(30)18-14-20(16-8-3-2-4-9-16)25-19-11-6-5-10-17(18)19/h2-14H,15H2,1H3,(H,26,28,29).
What are the key properties of [2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] 2-phenylquinoline-4-carboxylate?
[2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] 2-phenylquinoline-4-carboxylate has a molecular weight of 413.43 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] 2-phenylquinoline-4-carboxylate is sourced from PubChem (CID 7866853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).