2-(furan-2-yl)-N-[4-(2-methylpropanoylamino)phenyl]quinoline-4-carboxamide

C24H21N3O3 — CID 134016603

IUPAC2-(furan-2-yl)-N-[4-(2-methylpropanoylamino)phenyl]quinoline-4-carboxamide
SMILESCC(C)C(=O)Nc1ccc(NC(=O)c2cc(-c3ccco3)nc3ccccc23)cc1
InChIInChI=1S/C24H21N3O3/c1-15(2)23(28)25-16-9-11-17(12-10-16)26-24(29)19-14-21(22-8-5-13-30-22)27-20-7-4-3-6-18(19)20/h3-15H,1-2H3,(H,25,28)(H,26,29)
InChIKeyUYAGKFYTHUOHQG-UHFFFAOYSA-N
MW399.45 g/mol
LogP5.34
Rot. Bonds5

About 2-(furan-2-yl)-N-[4-(2-methylpropanoylamino)phenyl]quinoline-4-carboxamide

2-(furan-2-yl)-N-[4-(2-methylpropanoylamino)phenyl]quinoline-4-carboxamide (PubChem CID 134016603) has the molecular formula C24H21N3O3 and a molecular weight of 399.45 g/mol. Its IUPAC name is 2-(furan-2-yl)-N-[4-(2-methylpropanoylamino)phenyl]quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(furan-2-yl)-N-[4-(2-methylpropanoylamino)phenyl]quinoline-4-carboxamide
PubChem CID134016603
Molecular FormulaC24H21N3O3
Molecular Weight399.45 g/mol
Exact Mass399.16
IUPAC Name2-(furan-2-yl)-N-[4-(2-methylpropanoylamino)phenyl]quinoline-4-carboxamide
SMILESCC(C)C(=O)Nc1ccc(NC(=O)c2cc(-c3ccco3)nc3ccccc23)cc1
InChIInChI=1S/C24H21N3O3/c1-15(2)23(28)25-16-9-11-17(12-10-16)26-24(29)19-14-21(22-8-5-13-30-22)27-20-7-4-3-6-18(19)20/h3-15H,1-2H3,(H,25,28)(H,26,29)
InChIKeyUYAGKFYTHUOHQG-UHFFFAOYSA-N
XLogP5.34
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.45
LogP ≤ 55.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(furan-2-yl)-N-[4-(propan-2-ylcarbamoyl)phenyl]quinoline-4-carboxamide
CID 55864663
2-(furan-2-yl)-N-[4-[4-[[2-(furan-2-yl)quinoline-4-carbonyl]amino]phenoxy]phenyl]quinoline-4-carboxamide
CID 3663828
N-(3,5-dimethoxyphenyl)-2-(furan-2-yl)quinoline-4-carboxamide
CID 9096906
[(2S)-1-(4-fluoroanilino)-1-oxopropan-2-yl] 2-(furan-2-yl)quinoline-4-carboxylate
CID 7825289
N-[4-[2-[2-[2-(furan-2-yl)quinoline-4-carbonyl]hydrazinyl]-2-oxoethyl]phenyl]acetamide
CID 134029227
2-(furan-2-yl)-N-[(1R)-1-phenylethyl]quinoline-4-carboxamide
CID 903434
N-(3-chloro-4-methoxyphenyl)-2-(furan-2-yl)quinoline-4-carboxamide
CID 2361920
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-acetamido-4-methoxyphenyl)-2-(furan-2-yl)quinoline-4-carboxamide
CID 35346205
N-tert-butyl-2-(furan-2-yl)quinoline-4-carboxamide
CID 3611196
N-(2,4-dimethylphenyl)-2-(furan-2-yl)quinoline-4-carboxamide
CID 694750

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-N-[4-(2-methylpropanoylamino)phenyl]quinoline-4-carboxamide?
The IUPAC name of 2-(furan-2-yl)-N-[4-(2-methylpropanoylamino)phenyl]quinoline-4-carboxamide (CID 134016603) is 2-(furan-2-yl)-N-[4-(2-methylpropanoylamino)phenyl]quinoline-4-carboxamide.
What is the SMILES notation for 2-(furan-2-yl)-N-[4-(2-methylpropanoylamino)phenyl]quinoline-4-carboxamide?
The canonical SMILES for 2-(furan-2-yl)-N-[4-(2-methylpropanoylamino)phenyl]quinoline-4-carboxamide is CC(C)C(=O)Nc1ccc(NC(=O)c2cc(-c3ccco3)nc3ccccc23)cc1.
What is the InChIKey of 2-(furan-2-yl)-N-[4-(2-methylpropanoylamino)phenyl]quinoline-4-carboxamide?
The InChIKey is UYAGKFYTHUOHQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O3/c1-15(2)23(28)25-16-9-11-17(12-10-16)26-24(29)19-14-21(22-8-5-13-30-22)27-20-7-4-3-6-18(19)20/h3-15H,1-2H3,(H,25,28)(H,26,29).
What are the key properties of 2-(furan-2-yl)-N-[4-(2-methylpropanoylamino)phenyl]quinoline-4-carboxamide?
2-(furan-2-yl)-N-[4-(2-methylpropanoylamino)phenyl]quinoline-4-carboxamide has a molecular weight of 399.45 g/mol, XLogP of 5.34, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-N-[4-(2-methylpropanoylamino)phenyl]quinoline-4-carboxamide is sourced from PubChem (CID 134016603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).