2-(5-methylfuran-2-yl)-N-pyridin-3-ylquinoline-4-carboxamide

C20H15N3O2 — CID 868676

IUPAC2-(5-methylfuran-2-yl)-N-pyridin-3-ylquinoline-4-carboxamide
SMILESCc1ccc(-c2cc(C(=O)Nc3cccnc3)c3ccccc3n2)o1
InChIInChI=1S/C20H15N3O2/c1-13-8-9-19(25-13)18-11-16(15-6-2-3-7-17(15)23-18)20(24)22-14-5-4-10-21-12-14/h2-12H,1H3,(H,22,24)
InChIKeyKFLKCCLSDIKUML-UHFFFAOYSA-N
MW329.36 g/mol
LogP4.45
Rot. Bonds3

About 2-(5-methylfuran-2-yl)-N-pyridin-3-ylquinoline-4-carboxamide

2-(5-methylfuran-2-yl)-N-pyridin-3-ylquinoline-4-carboxamide (PubChem CID 868676) has the molecular formula C20H15N3O2 and a molecular weight of 329.36 g/mol. Its IUPAC name is 2-(5-methylfuran-2-yl)-N-pyridin-3-ylquinoline-4-carboxamide.

Molecular Properties

Compound Name2-(5-methylfuran-2-yl)-N-pyridin-3-ylquinoline-4-carboxamide
PubChem CID868676
Molecular FormulaC20H15N3O2
Molecular Weight329.36 g/mol
Exact Mass329.12
IUPAC Name2-(5-methylfuran-2-yl)-N-pyridin-3-ylquinoline-4-carboxamide
SMILESCc1ccc(-c2cc(C(=O)Nc3cccnc3)c3ccccc3n2)o1
InChIInChI=1S/C20H15N3O2/c1-13-8-9-19(25-13)18-11-16(15-6-2-3-7-17(15)23-18)20(24)22-14-5-4-10-21-12-14/h2-12H,1H3,(H,22,24)
InChIKeyKFLKCCLSDIKUML-UHFFFAOYSA-N
XLogP4.45
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-methylfuran-2-yl)-N-pyridin-3-ylquinoline-4-carboxamide?
The IUPAC name of 2-(5-methylfuran-2-yl)-N-pyridin-3-ylquinoline-4-carboxamide (CID 868676) is 2-(5-methylfuran-2-yl)-N-pyridin-3-ylquinoline-4-carboxamide.
What is the SMILES notation for 2-(5-methylfuran-2-yl)-N-pyridin-3-ylquinoline-4-carboxamide?
The canonical SMILES for 2-(5-methylfuran-2-yl)-N-pyridin-3-ylquinoline-4-carboxamide is Cc1ccc(-c2cc(C(=O)Nc3cccnc3)c3ccccc3n2)o1.
What is the InChIKey of 2-(5-methylfuran-2-yl)-N-pyridin-3-ylquinoline-4-carboxamide?
The InChIKey is KFLKCCLSDIKUML-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O2/c1-13-8-9-19(25-13)18-11-16(15-6-2-3-7-17(15)23-18)20(24)22-14-5-4-10-21-12-14/h2-12H,1H3,(H,22,24).
What are the key properties of 2-(5-methylfuran-2-yl)-N-pyridin-3-ylquinoline-4-carboxamide?
2-(5-methylfuran-2-yl)-N-pyridin-3-ylquinoline-4-carboxamide has a molecular weight of 329.36 g/mol, XLogP of 4.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methylfuran-2-yl)-N-pyridin-3-ylquinoline-4-carboxamide is sourced from PubChem (CID 868676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).