2-(5-methylfuran-2-yl)-N-(2-methylpropyl)quinoline-4-carboxamide

C19H20N2O2 — CID 3421567

IUPAC2-(5-methylfuran-2-yl)-N-(2-methylpropyl)quinoline-4-carboxamide
SMILESCc1ccc(-c2cc(C(=O)NCC(C)C)c3ccccc3n2)o1
InChIInChI=1S/C19H20N2O2/c1-12(2)11-20-19(22)15-10-17(18-9-8-13(3)23-18)21-16-7-5-4-6-14(15)16/h4-10,12H,11H2,1-3H3,(H,20,22)
InChIKeyCBVFSHMAQSOEMO-UHFFFAOYSA-N
MW308.38 g/mol
LogP4.19
Rot. Bonds4

About 2-(5-methylfuran-2-yl)-N-(2-methylpropyl)quinoline-4-carboxamide

2-(5-methylfuran-2-yl)-N-(2-methylpropyl)quinoline-4-carboxamide (PubChem CID 3421567) has the molecular formula C19H20N2O2 and a molecular weight of 308.38 g/mol. Its IUPAC name is 2-(5-methylfuran-2-yl)-N-(2-methylpropyl)quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(5-methylfuran-2-yl)-N-(2-methylpropyl)quinoline-4-carboxamide
PubChem CID3421567
Molecular FormulaC19H20N2O2
Molecular Weight308.38 g/mol
Exact Mass308.15
IUPAC Name2-(5-methylfuran-2-yl)-N-(2-methylpropyl)quinoline-4-carboxamide
SMILESCc1ccc(-c2cc(C(=O)NCC(C)C)c3ccccc3n2)o1
InChIInChI=1S/C19H20N2O2/c1-12(2)11-20-19(22)15-10-17(18-9-8-13(3)23-18)21-16-7-5-4-6-14(15)16/h4-10,12H,11H2,1-3H3,(H,20,22)
InChIKeyCBVFSHMAQSOEMO-UHFFFAOYSA-N
XLogP4.19
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2R)-2-(dimethylamino)-2-phenylethyl]-2-(5-methylfuran-2-yl)quinoline-4-carboxamide
CID 2483564
2-(5-methylfuran-2-yl)-N-[7-[[2-(5-methylfuran-2-yl)quinoline-4-carbonyl]amino]heptyl]quinoline-4-carboxamide
CID 4639931
2-(5-methylfuran-2-yl)-N-prop-2-enylquinoline-4-carboxamide
CID 3420064
N-[2-(dimethylamino)ethyl]-2-(5-methylfuran-2-yl)quinoline-4-carboxamide
CID 71572132
N-[2-(ethylamino)-2-oxoethyl]-2-(5-methylfuran-2-yl)quinoline-4-carboxamide
CID 18145630
2-(5-methylfuran-2-yl)-N-[(1S)-1-phenylethyl]quinoline-4-carboxamide
CID 1221741
N-[(3,4-dichlorophenyl)methyl]-2-(5-methylfuran-2-yl)quinoline-4-carboxamide
CID 1220612
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-(5-methylfuran-2-yl)quinoline-4-carboxamide
CID 7535629
N-ethoxy-2-(5-methylfuran-2-yl)quinoline-4-carboxamide
CID 18168945
N-[(1R)-1-cyclopropylethyl]-2-(5-methylfuran-2-yl)quinoline-4-carboxamide
CID 9266940
N-(3,5-dimethylphenyl)-2-(5-methylfuran-2-yl)quinoline-4-carboxamide
CID 1222302
2-(5-methylfuran-2-yl)quinoline-4-carboxamide
CID 913140

Frequently Asked Questions

What is the IUPAC name of 2-(5-methylfuran-2-yl)-N-(2-methylpropyl)quinoline-4-carboxamide?
The IUPAC name of 2-(5-methylfuran-2-yl)-N-(2-methylpropyl)quinoline-4-carboxamide (CID 3421567) is 2-(5-methylfuran-2-yl)-N-(2-methylpropyl)quinoline-4-carboxamide.
What is the SMILES notation for 2-(5-methylfuran-2-yl)-N-(2-methylpropyl)quinoline-4-carboxamide?
The canonical SMILES for 2-(5-methylfuran-2-yl)-N-(2-methylpropyl)quinoline-4-carboxamide is Cc1ccc(-c2cc(C(=O)NCC(C)C)c3ccccc3n2)o1.
What is the InChIKey of 2-(5-methylfuran-2-yl)-N-(2-methylpropyl)quinoline-4-carboxamide?
The InChIKey is CBVFSHMAQSOEMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2/c1-12(2)11-20-19(22)15-10-17(18-9-8-13(3)23-18)21-16-7-5-4-6-14(15)16/h4-10,12H,11H2,1-3H3,(H,20,22).
What are the key properties of 2-(5-methylfuran-2-yl)-N-(2-methylpropyl)quinoline-4-carboxamide?
2-(5-methylfuran-2-yl)-N-(2-methylpropyl)quinoline-4-carboxamide has a molecular weight of 308.38 g/mol, XLogP of 4.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methylfuran-2-yl)-N-(2-methylpropyl)quinoline-4-carboxamide is sourced from PubChem (CID 3421567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).