2-(5-methylfuran-2-yl)-N-(6-methyl-2-pyridinyl)quinoline-4-carboxamide

C21H17N3O2 — CID 845057

IUPAC2-(5-methylfuran-2-yl)-N-(6-methyl-2-pyridinyl)quinoline-4-carboxamide
SMILESCc1cccc(NC(=O)c2cc(-c3ccc(C)o3)nc3ccccc23)n1
InChIInChI=1S/C21H17N3O2/c1-13-6-5-9-20(22-13)24-21(25)16-12-18(19-11-10-14(2)26-19)23-17-8-4-3-7-15(16)17/h3-12H,1-2H3,(H,22,24,25)
InChIKeyTVOSCJYJWBCJKN-UHFFFAOYSA-N
MW343.39 g/mol
LogP4.76
Rot. Bonds3

About 2-(5-methylfuran-2-yl)-N-(6-methyl-2-pyridinyl)quinoline-4-carboxamide

2-(5-methylfuran-2-yl)-N-(6-methyl-2-pyridinyl)quinoline-4-carboxamide (PubChem CID 845057) has the molecular formula C21H17N3O2 and a molecular weight of 343.39 g/mol. Its IUPAC name is 2-(5-methylfuran-2-yl)-N-(6-methyl-2-pyridinyl)quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(5-methylfuran-2-yl)-N-(6-methyl-2-pyridinyl)quinoline-4-carboxamide
PubChem CID845057
Molecular FormulaC21H17N3O2
Molecular Weight343.39 g/mol
Exact Mass343.13
IUPAC Name2-(5-methylfuran-2-yl)-N-(6-methyl-2-pyridinyl)quinoline-4-carboxamide
SMILESCc1cccc(NC(=O)c2cc(-c3ccc(C)o3)nc3ccccc23)n1
InChIInChI=1S/C21H17N3O2/c1-13-6-5-9-20(22-13)24-21(25)16-12-18(19-11-10-14(2)26-19)23-17-8-4-3-7-15(16)17/h3-12H,1-2H3,(H,22,24,25)
InChIKeyTVOSCJYJWBCJKN-UHFFFAOYSA-N
XLogP4.76
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 54.76
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-(6-methyl-2-pyridinyl)quinoline-4-carboxamide?
The IUPAC name of 2-(5-methylfuran-2-yl)-N-(6-methyl-2-pyridinyl)quinoline-4-carboxamide (CID 845057) is 2-(5-methylfuran-2-yl)-N-(6-methyl-2-pyridinyl)quinoline-4-carboxamide.
What is the SMILES notation for 2-(5-methylfuran-2-yl)-N-(6-methyl-2-pyridinyl)quinoline-4-carboxamide?
The canonical SMILES for 2-(5-methylfuran-2-yl)-N-(6-methyl-2-pyridinyl)quinoline-4-carboxamide is Cc1cccc(NC(=O)c2cc(-c3ccc(C)o3)nc3ccccc23)n1.
What is the InChIKey of 2-(5-methylfuran-2-yl)-N-(6-methyl-2-pyridinyl)quinoline-4-carboxamide?
The InChIKey is TVOSCJYJWBCJKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O2/c1-13-6-5-9-20(22-13)24-21(25)16-12-18(19-11-10-14(2)26-19)23-17-8-4-3-7-15(16)17/h3-12H,1-2H3,(H,22,24,25).
What are the key properties of 2-(5-methylfuran-2-yl)-N-(6-methyl-2-pyridinyl)quinoline-4-carboxamide?
2-(5-methylfuran-2-yl)-N-(6-methyl-2-pyridinyl)quinoline-4-carboxamide has a molecular weight of 343.39 g/mol, XLogP of 4.76, 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-(6-methyl-2-pyridinyl)quinoline-4-carboxamide is sourced from PubChem (CID 845057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).