[1-methyl-2-oxo-3-(1H-pyrrole-2-carbonyloxy)quinolin-4-yl] 1H-pyrrole-2-carboxylate

C20H15N3O5 — CID 19776650

IUPAC[1-methyl-2-oxo-3-(1H-pyrrole-2-carbonyloxy)quinolin-4-yl] 1H-pyrrole-2-carboxylate
SMILESCn1c(=O)c(OC(=O)c2ccc[nH]2)c(OC(=O)c2ccc[nH]2)c2ccccc21
InChIInChI=1S/C20H15N3O5/c1-23-15-9-3-2-6-12(15)16(27-19(25)13-7-4-10-21-13)17(18(23)24)28-20(26)14-8-5-11-22-14/h2-11,21-22H,1H3
InChIKeyIGUAHCNATHDWCK-UHFFFAOYSA-N
MW377.36 g/mol
LogP2.63
Rot. Bonds4

About [1-methyl-2-oxo-3-(1H-pyrrole-2-carbonyloxy)quinolin-4-yl] 1H-pyrrole-2-carboxylate

[1-methyl-2-oxo-3-(1H-pyrrole-2-carbonyloxy)quinolin-4-yl] 1H-pyrrole-2-carboxylate (PubChem CID 19776650) has the molecular formula C20H15N3O5 and a molecular weight of 377.36 g/mol. Its IUPAC name is [1-methyl-2-oxo-3-(1H-pyrrole-2-carbonyloxy)quinolin-4-yl] 1H-pyrrole-2-carboxylate.

Molecular Properties

Compound Name[1-methyl-2-oxo-3-(1H-pyrrole-2-carbonyloxy)quinolin-4-yl] 1H-pyrrole-2-carboxylate
PubChem CID19776650
Molecular FormulaC20H15N3O5
Molecular Weight377.36 g/mol
Exact Mass377.10
IUPAC Name[1-methyl-2-oxo-3-(1H-pyrrole-2-carbonyloxy)quinolin-4-yl] 1H-pyrrole-2-carboxylate
SMILESCn1c(=O)c(OC(=O)c2ccc[nH]2)c(OC(=O)c2ccc[nH]2)c2ccccc21
InChIInChI=1S/C20H15N3O5/c1-23-15-9-3-2-6-12(15)16(27-19(25)13-7-4-10-21-13)17(18(23)24)28-20(26)14-8-5-11-22-14/h2-11,21-22H,1H3
InChIKeyIGUAHCNATHDWCK-UHFFFAOYSA-N
XLogP2.63
TPSA106.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.36
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [1-methyl-2-oxo-3-(1H-pyrrole-2-carbonyloxy)quinolin-4-yl] 1H-pyrrole-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [1-methyl-2-oxo-3-(1H-pyrrole-2-carbonyloxy)quinolin-4-yl] 1H-pyrrole-2-carboxylate?
The IUPAC name of [1-methyl-2-oxo-3-(1H-pyrrole-2-carbonyloxy)quinolin-4-yl] 1H-pyrrole-2-carboxylate (CID 19776650) is [1-methyl-2-oxo-3-(1H-pyrrole-2-carbonyloxy)quinolin-4-yl] 1H-pyrrole-2-carboxylate.
What is the SMILES notation for [1-methyl-2-oxo-3-(1H-pyrrole-2-carbonyloxy)quinolin-4-yl] 1H-pyrrole-2-carboxylate?
The canonical SMILES for [1-methyl-2-oxo-3-(1H-pyrrole-2-carbonyloxy)quinolin-4-yl] 1H-pyrrole-2-carboxylate is Cn1c(=O)c(OC(=O)c2ccc[nH]2)c(OC(=O)c2ccc[nH]2)c2ccccc21.
What is the InChIKey of [1-methyl-2-oxo-3-(1H-pyrrole-2-carbonyloxy)quinolin-4-yl] 1H-pyrrole-2-carboxylate?
The InChIKey is IGUAHCNATHDWCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O5/c1-23-15-9-3-2-6-12(15)16(27-19(25)13-7-4-10-21-13)17(18(23)24)28-20(26)14-8-5-11-22-14/h2-11,21-22H,1H3.
What are the key properties of [1-methyl-2-oxo-3-(1H-pyrrole-2-carbonyloxy)quinolin-4-yl] 1H-pyrrole-2-carboxylate?
[1-methyl-2-oxo-3-(1H-pyrrole-2-carbonyloxy)quinolin-4-yl] 1H-pyrrole-2-carboxylate has a molecular weight of 377.36 g/mol, XLogP of 2.63, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-methyl-2-oxo-3-(1H-pyrrole-2-carbonyloxy)quinolin-4-yl] 1H-pyrrole-2-carboxylate is sourced from PubChem (CID 19776650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).