N-tert-butyl-2-(furan-2-yl)quinoline-4-carboxamide

C18H18N2O2 — CID 3611196

IUPACN-tert-butyl-2-(furan-2-yl)quinoline-4-carboxamide
SMILESCC(C)(C)NC(=O)c1cc(-c2ccco2)nc2ccccc12
InChIInChI=1S/C18H18N2O2/c1-18(2,3)20-17(21)13-11-15(16-9-6-10-22-16)19-14-8-5-4-7-12(13)14/h4-11H,1-3H3,(H,20,21)
InChIKeyTZQPHVZUGUYYLE-UHFFFAOYSA-N
MW294.35 g/mol
LogP4.02
Rot. Bonds2

About N-tert-butyl-2-(furan-2-yl)quinoline-4-carboxamide

N-tert-butyl-2-(furan-2-yl)quinoline-4-carboxamide (PubChem CID 3611196) has the molecular formula C18H18N2O2 and a molecular weight of 294.35 g/mol. Its IUPAC name is N-tert-butyl-2-(furan-2-yl)quinoline-4-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-2-(furan-2-yl)quinoline-4-carboxamide
PubChem CID3611196
Molecular FormulaC18H18N2O2
Molecular Weight294.35 g/mol
Exact Mass294.14
IUPAC NameN-tert-butyl-2-(furan-2-yl)quinoline-4-carboxamide
SMILESCC(C)(C)NC(=O)c1cc(-c2ccco2)nc2ccccc12
InChIInChI=1S/C18H18N2O2/c1-18(2,3)20-17(21)13-11-15(16-9-6-10-22-16)19-14-8-5-4-7-12(13)14/h4-11H,1-3H3,(H,20,21)
InChIKeyTZQPHVZUGUYYLE-UHFFFAOYSA-N
XLogP4.02
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
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-[2-(tert-butylamino)-2-oxoethyl]-2-(furan-2-yl)quinoline-4-carboxamide
CID 26456849
2-(furan-2-yl)-N-[(1R)-1-phenylethyl]quinoline-4-carboxamide
CID 903434
N-butan-2-yl-2-(furan-2-yl)quinoline-4-carboxamide
CID 3637493
2-(furan-2-yl)-N-(2-hydroxypropyl)quinoline-4-carboxamide
CID 78800391
N-(3,5-dimethoxyphenyl)-2-(furan-2-yl)quinoline-4-carboxamide
CID 9096906
N-(2,4-dimethylphenyl)-2-(furan-2-yl)quinoline-4-carboxamide
CID 694750
2-(furan-2-yl)-N-(2-nitrophenyl)quinoline-4-carboxamide
CID 4601921
2-(furan-2-yl)-N-[4-(2-methylpropanoylamino)phenyl]quinoline-4-carboxamide
CID 134016603
N-dodecyl-2-(furan-2-yl)quinoline-4-carboxamide
CID 4192336
2-(furan-2-yl)-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]quinoline-4-carboxamide
CID 56822225
2-(furan-2-yl)-N-[4-[4-[[2-(furan-2-yl)quinoline-4-carbonyl]amino]phenoxy]phenyl]quinoline-4-carboxamide
CID 3663828
methyl (2R)-2-[[2-(furan-2-yl)quinoline-4-carbonyl]amino]-2-phenylacetate
CID 69058488

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-(furan-2-yl)quinoline-4-carboxamide?
The IUPAC name of N-tert-butyl-2-(furan-2-yl)quinoline-4-carboxamide (CID 3611196) is N-tert-butyl-2-(furan-2-yl)quinoline-4-carboxamide.
What is the SMILES notation for N-tert-butyl-2-(furan-2-yl)quinoline-4-carboxamide?
The canonical SMILES for N-tert-butyl-2-(furan-2-yl)quinoline-4-carboxamide is CC(C)(C)NC(=O)c1cc(-c2ccco2)nc2ccccc12.
What is the InChIKey of N-tert-butyl-2-(furan-2-yl)quinoline-4-carboxamide?
The InChIKey is TZQPHVZUGUYYLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2/c1-18(2,3)20-17(21)13-11-15(16-9-6-10-22-16)19-14-8-5-4-7-12(13)14/h4-11H,1-3H3,(H,20,21).
What are the key properties of N-tert-butyl-2-(furan-2-yl)quinoline-4-carboxamide?
N-tert-butyl-2-(furan-2-yl)quinoline-4-carboxamide has a molecular weight of 294.35 g/mol, XLogP of 4.02, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-(furan-2-yl)quinoline-4-carboxamide is sourced from PubChem (CID 3611196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).