N-(3,5-dimethoxyphenyl)-2-(furan-2-yl)quinoline-4-carboxamide

C22H18N2O4 — CID 9096906

IUPACN-(3,5-dimethoxyphenyl)-2-(furan-2-yl)quinoline-4-carboxamide
SMILESCOc1cc(NC(=O)c2cc(-c3ccco3)nc3ccccc23)cc(OC)c1
InChIInChI=1S/C22H18N2O4/c1-26-15-10-14(11-16(12-15)27-2)23-22(25)18-13-20(21-8-5-9-28-21)24-19-7-4-3-6-17(18)19/h3-13H,1-2H3,(H,23,25)
InChIKeyXMFCFJMYVBSKAS-UHFFFAOYSA-N
MW374.40 g/mol
LogP4.76
Rot. Bonds5

About N-(3,5-dimethoxyphenyl)-2-(furan-2-yl)quinoline-4-carboxamide

N-(3,5-dimethoxyphenyl)-2-(furan-2-yl)quinoline-4-carboxamide (PubChem CID 9096906) has the molecular formula C22H18N2O4 and a molecular weight of 374.40 g/mol. Its IUPAC name is N-(3,5-dimethoxyphenyl)-2-(furan-2-yl)quinoline-4-carboxamide.

Molecular Properties

Compound NameN-(3,5-dimethoxyphenyl)-2-(furan-2-yl)quinoline-4-carboxamide
PubChem CID9096906
Molecular FormulaC22H18N2O4
Molecular Weight374.40 g/mol
Exact Mass374.13
IUPAC NameN-(3,5-dimethoxyphenyl)-2-(furan-2-yl)quinoline-4-carboxamide
SMILESCOc1cc(NC(=O)c2cc(-c3ccco3)nc3ccccc23)cc(OC)c1
InChIInChI=1S/C22H18N2O4/c1-26-15-10-14(11-16(12-15)27-2)23-22(25)18-13-20(21-8-5-9-28-21)24-19-7-4-3-6-17(18)19/h3-13H,1-2H3,(H,23,25)
InChIKeyXMFCFJMYVBSKAS-UHFFFAOYSA-N
XLogP4.76
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(furan-2-yl)-N-[4-[4-[[2-(furan-2-yl)quinoline-4-carbonyl]amino]phenoxy]phenyl]quinoline-4-carboxamide
CID 3663828
N-(3-chloro-4-methoxyphenyl)-2-(furan-2-yl)quinoline-4-carboxamide
CID 2361920
N-(3-acetamido-4-methoxyphenyl)-2-(furan-2-yl)quinoline-4-carboxamide
CID 35346205
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
2-(furan-2-yl)-N-(2-phenoxyphenyl)quinoline-4-carboxamide
CID 4197636
N-[3-[2-(dimethylamino)ethoxy]phenyl]-2-(furan-2-yl)quinoline-4-carboxamide
CID 167851966
2-chloro-N-(3,5-dimethoxyphenyl)quinoline-4-carboxamide
CID 9011295
N-(2-ethoxyphenyl)-2-(furan-2-yl)quinoline-4-carboxamide
CID 3391261
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
[2-(3-methoxyanilino)-2-oxoethyl] 2-(furan-2-yl)quinoline-4-carboxylate
CID 2434582

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethoxyphenyl)-2-(furan-2-yl)quinoline-4-carboxamide?
The IUPAC name of N-(3,5-dimethoxyphenyl)-2-(furan-2-yl)quinoline-4-carboxamide (CID 9096906) is N-(3,5-dimethoxyphenyl)-2-(furan-2-yl)quinoline-4-carboxamide.
What is the SMILES notation for N-(3,5-dimethoxyphenyl)-2-(furan-2-yl)quinoline-4-carboxamide?
The canonical SMILES for N-(3,5-dimethoxyphenyl)-2-(furan-2-yl)quinoline-4-carboxamide is COc1cc(NC(=O)c2cc(-c3ccco3)nc3ccccc23)cc(OC)c1.
What is the InChIKey of N-(3,5-dimethoxyphenyl)-2-(furan-2-yl)quinoline-4-carboxamide?
The InChIKey is XMFCFJMYVBSKAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O4/c1-26-15-10-14(11-16(12-15)27-2)23-22(25)18-13-20(21-8-5-9-28-21)24-19-7-4-3-6-17(18)19/h3-13H,1-2H3,(H,23,25).
What are the key properties of N-(3,5-dimethoxyphenyl)-2-(furan-2-yl)quinoline-4-carboxamide?
N-(3,5-dimethoxyphenyl)-2-(furan-2-yl)quinoline-4-carboxamide has a molecular weight of 374.40 g/mol, XLogP of 4.76, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethoxyphenyl)-2-(furan-2-yl)quinoline-4-carboxamide is sourced from PubChem (CID 9096906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).