N-butan-2-yl-2-(furan-2-yl)quinoline-4-carboxamide

C18H18N2O2 — CID 3637493

IUPACN-butan-2-yl-2-(furan-2-yl)quinoline-4-carboxamide
SMILESCCC(C)NC(=O)c1cc(-c2ccco2)nc2ccccc12
InChIInChI=1S/C18H18N2O2/c1-3-12(2)19-18(21)14-11-16(17-9-6-10-22-17)20-15-8-5-4-7-13(14)15/h4-12H,3H2,1-2H3,(H,19,21)
InChIKeyJMYRMQNESFWDKV-UHFFFAOYSA-N
MW294.35 g/mol
LogP4.02
Rot. Bonds4

About N-butan-2-yl-2-(furan-2-yl)quinoline-4-carboxamide

N-butan-2-yl-2-(furan-2-yl)quinoline-4-carboxamide (PubChem CID 3637493) has the molecular formula C18H18N2O2 and a molecular weight of 294.35 g/mol. Its IUPAC name is N-butan-2-yl-2-(furan-2-yl)quinoline-4-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-2-(furan-2-yl)quinoline-4-carboxamide
PubChem CID3637493
Molecular FormulaC18H18N2O2
Molecular Weight294.35 g/mol
Exact Mass294.14
IUPAC NameN-butan-2-yl-2-(furan-2-yl)quinoline-4-carboxamide
SMILESCCC(C)NC(=O)c1cc(-c2ccco2)nc2ccccc12
InChIInChI=1S/C18H18N2O2/c1-3-12(2)19-18(21)14-11-16(17-9-6-10-22-17)20-15-8-5-4-7-13(14)15/h4-12H,3H2,1-2H3,(H,19,21)
InChIKeyJMYRMQNESFWDKV-UHFFFAOYSA-N
XLogP4.02
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-amino-3-methyl-1-oxopentan-2-yl)-2-(furan-2-yl)quinoline-4-carboxamide
CID 78773085
2-(furan-2-yl)-N-[(1R)-1-phenylethyl]quinoline-4-carboxamide
CID 903434
2-(furan-2-yl)-N-(2-hydroxypropyl)quinoline-4-carboxamide
CID 78800391
N-[(2R)-1-(benzylamino)-1-oxopropan-2-yl]-2-(furan-2-yl)quinoline-4-carboxamide
CID 52505812
N-[(2S)-1-(benzylamino)-1-oxopropan-2-yl]-2-(furan-2-yl)quinoline-4-carboxamide
CID 52505811
2-(furan-2-yl)-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]quinoline-4-carboxamide
CID 56822225
methyl (2R)-2-[[2-(furan-2-yl)quinoline-4-carbonyl]amino]-2-phenylacetate
CID 69058488
N-tert-butyl-2-(furan-2-yl)quinoline-4-carboxamide
CID 3611196
[2-oxo-2-[[(2S)-pentan-2-yl]amino]ethyl] 2-(furan-2-yl)quinoline-4-carboxylate
CID 2693378
N-dodecyl-2-(furan-2-yl)quinoline-4-carboxamide
CID 4192336
2-(furan-2-yl)-N-[4-(2-methylpropanoylamino)phenyl]quinoline-4-carboxamide
CID 134016603
2-(furan-2-yl)-N-[4-(propan-2-ylcarbamoyl)phenyl]quinoline-4-carboxamide
CID 55864663

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-(furan-2-yl)quinoline-4-carboxamide?
The IUPAC name of N-butan-2-yl-2-(furan-2-yl)quinoline-4-carboxamide (CID 3637493) is N-butan-2-yl-2-(furan-2-yl)quinoline-4-carboxamide.
What is the SMILES notation for N-butan-2-yl-2-(furan-2-yl)quinoline-4-carboxamide?
The canonical SMILES for N-butan-2-yl-2-(furan-2-yl)quinoline-4-carboxamide is CCC(C)NC(=O)c1cc(-c2ccco2)nc2ccccc12.
What is the InChIKey of N-butan-2-yl-2-(furan-2-yl)quinoline-4-carboxamide?
The InChIKey is JMYRMQNESFWDKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2/c1-3-12(2)19-18(21)14-11-16(17-9-6-10-22-17)20-15-8-5-4-7-13(14)15/h4-12H,3H2,1-2H3,(H,19,21).
What are the key properties of N-butan-2-yl-2-(furan-2-yl)quinoline-4-carboxamide?
N-butan-2-yl-2-(furan-2-yl)quinoline-4-carboxamide has a molecular weight of 294.35 g/mol, XLogP of 4.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-(furan-2-yl)quinoline-4-carboxamide is sourced from PubChem (CID 3637493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).