N-(2,4-dimethylphenyl)-2-(furan-2-yl)quinoline-4-carboxamide

C22H18N2O2 — CID 694750

IUPACN-(2,4-dimethylphenyl)-2-(furan-2-yl)quinoline-4-carboxamide
SMILESCc1ccc(NC(=O)c2cc(-c3ccco3)nc3ccccc23)c(C)c1
InChIInChI=1S/C22H18N2O2/c1-14-9-10-18(15(2)12-14)24-22(25)17-13-20(21-8-5-11-26-21)23-19-7-4-3-6-16(17)19/h3-13H,1-2H3,(H,24,25)
InChIKeyRQWIKABNQVGIOZ-UHFFFAOYSA-N
MW342.40 g/mol
LogP5.36
Rot. Bonds3

About N-(2,4-dimethylphenyl)-2-(furan-2-yl)quinoline-4-carboxamide

N-(2,4-dimethylphenyl)-2-(furan-2-yl)quinoline-4-carboxamide (PubChem CID 694750) has the molecular formula C22H18N2O2 and a molecular weight of 342.40 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-2-(furan-2-yl)quinoline-4-carboxamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-2-(furan-2-yl)quinoline-4-carboxamide
PubChem CID694750
Molecular FormulaC22H18N2O2
Molecular Weight342.40 g/mol
Exact Mass342.14
IUPAC NameN-(2,4-dimethylphenyl)-2-(furan-2-yl)quinoline-4-carboxamide
SMILESCc1ccc(NC(=O)c2cc(-c3ccco3)nc3ccccc23)c(C)c1
InChIInChI=1S/C22H18N2O2/c1-14-9-10-18(15(2)12-14)24-22(25)17-13-20(21-8-5-11-26-21)23-19-7-4-3-6-16(17)19/h3-13H,1-2H3,(H,24,25)
InChIKeyRQWIKABNQVGIOZ-UHFFFAOYSA-N
XLogP5.36
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.40
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,4-dimethylphenyl)-2-phenylquinoline-4-carboxamide
CID 3480982
2-(furan-2-yl)-N-(2,6,8-trimethylquinolin-4-yl)quinoline-4-carboxamide
CID 43853827
ethyl 2-[[2-(furan-2-yl)quinoline-4-carbonyl]amino]benzoate
CID 1222332
N-(2-chloro-4-fluorophenyl)-2-(furan-2-yl)quinoline-4-carboxamide
CID 8011201
2-(furan-2-yl)-N-(2-nitrophenyl)quinoline-4-carboxamide
CID 4601921
N-(2-ethoxyphenyl)-2-(furan-2-yl)quinoline-4-carboxamide
CID 3391261
2-(furan-2-yl)-N-(2-phenoxyphenyl)quinoline-4-carboxamide
CID 4197636
N-tert-butyl-2-(furan-2-yl)quinoline-4-carboxamide
CID 3611196
N-(3,5-dimethoxyphenyl)-2-(furan-2-yl)quinoline-4-carboxamide
CID 9096906
2-(5-chlorothiophen-2-yl)-N-(2,4-dimethylphenyl)quinoline-4-carboxamide
CID 4183460
2-(furan-2-yl)-N-[4-(2-methylpropanoylamino)phenyl]quinoline-4-carboxamide
CID 134016603
2-(2,4-dimethylphenyl)-N-[2-[[2-(2,4-dimethylphenyl)quinoline-4-carbonyl]amino]phenyl]quinoline-4-carboxamide
CID 4178944

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-2-(furan-2-yl)quinoline-4-carboxamide?
The IUPAC name of N-(2,4-dimethylphenyl)-2-(furan-2-yl)quinoline-4-carboxamide (CID 694750) is N-(2,4-dimethylphenyl)-2-(furan-2-yl)quinoline-4-carboxamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-2-(furan-2-yl)quinoline-4-carboxamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-2-(furan-2-yl)quinoline-4-carboxamide is Cc1ccc(NC(=O)c2cc(-c3ccco3)nc3ccccc23)c(C)c1.
What is the InChIKey of N-(2,4-dimethylphenyl)-2-(furan-2-yl)quinoline-4-carboxamide?
The InChIKey is RQWIKABNQVGIOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O2/c1-14-9-10-18(15(2)12-14)24-22(25)17-13-20(21-8-5-11-26-21)23-19-7-4-3-6-16(17)19/h3-13H,1-2H3,(H,24,25).
What are the key properties of N-(2,4-dimethylphenyl)-2-(furan-2-yl)quinoline-4-carboxamide?
N-(2,4-dimethylphenyl)-2-(furan-2-yl)quinoline-4-carboxamide has a molecular weight of 342.40 g/mol, XLogP of 5.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-2-(furan-2-yl)quinoline-4-carboxamide is sourced from PubChem (CID 694750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).