4-cyano-2-methyl-5-pyrrol-1-yl-N-quinolin-6-ylfuran-3-carboxamide

C20H14N4O2 — CID 78887692

IUPAC4-cyano-2-methyl-5-pyrrol-1-yl-N-quinolin-6-ylfuran-3-carboxamide
SMILESCc1oc(-n2cccc2)c(C#N)c1C(=O)Nc1ccc2ncccc2c1
InChIInChI=1S/C20H14N4O2/c1-13-18(16(12-21)20(26-13)24-9-2-3-10-24)19(25)23-15-6-7-17-14(11-15)5-4-8-22-17/h2-11H,1H3,(H,23,25)
InChIKeyHKHDLEDABHKVIY-UHFFFAOYSA-N
MW342.36 g/mol
LogP4.05
Rot. Bonds3

About 4-cyano-2-methyl-5-pyrrol-1-yl-N-quinolin-6-ylfuran-3-carboxamide

4-cyano-2-methyl-5-pyrrol-1-yl-N-quinolin-6-ylfuran-3-carboxamide (PubChem CID 78887692) has the molecular formula C20H14N4O2 and a molecular weight of 342.36 g/mol. Its IUPAC name is 4-cyano-2-methyl-5-pyrrol-1-yl-N-quinolin-6-ylfuran-3-carboxamide.

Molecular Properties

Compound Name4-cyano-2-methyl-5-pyrrol-1-yl-N-quinolin-6-ylfuran-3-carboxamide
PubChem CID78887692
Molecular FormulaC20H14N4O2
Molecular Weight342.36 g/mol
Exact Mass342.11
IUPAC Name4-cyano-2-methyl-5-pyrrol-1-yl-N-quinolin-6-ylfuran-3-carboxamide
SMILESCc1oc(-n2cccc2)c(C#N)c1C(=O)Nc1ccc2ncccc2c1
InChIInChI=1S/C20H14N4O2/c1-13-18(16(12-21)20(26-13)24-9-2-3-10-24)19(25)23-15-6-7-17-14(11-15)5-4-8-22-17/h2-11H,1H3,(H,23,25)
InChIKeyHKHDLEDABHKVIY-UHFFFAOYSA-N
XLogP4.05
TPSA83.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.36
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_F(5)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-cyano-2-methyl-5-pyrrol-1-yl-N-quinolin-6-ylfuran-3-carboxamide?
The IUPAC name of 4-cyano-2-methyl-5-pyrrol-1-yl-N-quinolin-6-ylfuran-3-carboxamide (CID 78887692) is 4-cyano-2-methyl-5-pyrrol-1-yl-N-quinolin-6-ylfuran-3-carboxamide.
What is the SMILES notation for 4-cyano-2-methyl-5-pyrrol-1-yl-N-quinolin-6-ylfuran-3-carboxamide?
The canonical SMILES for 4-cyano-2-methyl-5-pyrrol-1-yl-N-quinolin-6-ylfuran-3-carboxamide is Cc1oc(-n2cccc2)c(C#N)c1C(=O)Nc1ccc2ncccc2c1.
What is the InChIKey of 4-cyano-2-methyl-5-pyrrol-1-yl-N-quinolin-6-ylfuran-3-carboxamide?
The InChIKey is HKHDLEDABHKVIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N4O2/c1-13-18(16(12-21)20(26-13)24-9-2-3-10-24)19(25)23-15-6-7-17-14(11-15)5-4-8-22-17/h2-11H,1H3,(H,23,25).
What are the key properties of 4-cyano-2-methyl-5-pyrrol-1-yl-N-quinolin-6-ylfuran-3-carboxamide?
4-cyano-2-methyl-5-pyrrol-1-yl-N-quinolin-6-ylfuran-3-carboxamide has a molecular weight of 342.36 g/mol, XLogP of 4.05, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-2-methyl-5-pyrrol-1-yl-N-quinolin-6-ylfuran-3-carboxamide is sourced from PubChem (CID 78887692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).