N-(3-chlorophenyl)-2-[5-(2,5-dichlorophenyl)furan-2-yl]quinoline-4-carboxamide

C26H15Cl3N2O2 — CID 3320353

IUPACN-(3-chlorophenyl)-2-[5-(2,5-dichlorophenyl)furan-2-yl]quinoline-4-carboxamide
SMILESO=C(Nc1cccc(Cl)c1)c1cc(-c2ccc(-c3cc(Cl)ccc3Cl)o2)nc2ccccc12
InChIInChI=1S/C26H15Cl3N2O2/c27-15-4-3-5-17(12-15)30-26(32)19-14-23(31-22-7-2-1-6-18(19)22)25-11-10-24(33-25)20-13-16(28)8-9-21(20)29/h1-14H,(H,30,32)
InChIKeyLCZMTWMMOUDLAG-UHFFFAOYSA-N
MW493.78 g/mol
LogP8.37
Rot. Bonds4

About N-(3-chlorophenyl)-2-[5-(2,5-dichlorophenyl)furan-2-yl]quinoline-4-carboxamide

N-(3-chlorophenyl)-2-[5-(2,5-dichlorophenyl)furan-2-yl]quinoline-4-carboxamide (PubChem CID 3320353) has the molecular formula C26H15Cl3N2O2 and a molecular weight of 493.78 g/mol. Its IUPAC name is N-(3-chlorophenyl)-2-[5-(2,5-dichlorophenyl)furan-2-yl]quinoline-4-carboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-2-[5-(2,5-dichlorophenyl)furan-2-yl]quinoline-4-carboxamide
PubChem CID3320353
Molecular FormulaC26H15Cl3N2O2
Molecular Weight493.78 g/mol
Exact Mass492.02
IUPAC NameN-(3-chlorophenyl)-2-[5-(2,5-dichlorophenyl)furan-2-yl]quinoline-4-carboxamide
SMILESO=C(Nc1cccc(Cl)c1)c1cc(-c2ccc(-c3cc(Cl)ccc3Cl)o2)nc2ccccc12
InChIInChI=1S/C26H15Cl3N2O2/c27-15-4-3-5-17(12-15)30-26(32)19-14-23(31-22-7-2-1-6-18(19)22)25-11-10-24(33-25)20-13-16(28)8-9-21(20)29/h1-14H,(H,30,32)
InChIKeyLCZMTWMMOUDLAG-UHFFFAOYSA-N
XLogP8.37
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.78
LogP ≤ 58.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[5-(2,5-dichlorophenyl)furan-2-yl]-N-[4-(trifluoromethyl)phenyl]quinoline-4-carboxamide
CID 3320356
2-[5-(2-chlorophenyl)furan-2-yl]-N-naphthalen-2-ylquinoline-4-carboxamide
CID 18871513
2-[5-(2-chlorophenyl)furan-2-yl]-N-(3,5-dimethylphenyl)quinoline-4-carboxamide
CID 18871528
2-[3-[[5-(2,4-dichlorophenyl)furan-2-carbonyl]amino]phenyl]quinoline-4-carboxylic acid
CID 5262478
N-[(E)-[5-(2,5-dichlorophenyl)furan-2-yl]methylideneamino]-2-phenylquinoline-4-carboxamide
CID 126042034
2-(2,4-dichlorophenyl)-N-pyridin-4-ylquinoline-4-carboxamide
CID 3601091
N-(3,4-dichlorophenyl)-2-pyridin-4-ylquinoline-4-carboxamide
CID 2339769
2-[5-(2-chlorophenyl)furan-2-yl]-N-(1-phenylethyl)quinoline-4-carboxamide
CID 18871547
N-(4-chlorophenyl)-2-(2-methylphenyl)quinoline-4-carboxamide
CID 5069156
N-(3,5-dimethylphenyl)-2-(5-methylfuran-2-yl)quinoline-4-carboxamide
CID 1222302
N-(3-benzamidophenyl)-5-(2,5-dichlorophenyl)furan-2-carboxamide
CID 1007757
2-(2-chlorophenyl)-N-(3-nitrophenyl)quinoline-4-carboxamide
CID 1220548

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-2-[5-(2,5-dichlorophenyl)furan-2-yl]quinoline-4-carboxamide?
The IUPAC name of N-(3-chlorophenyl)-2-[5-(2,5-dichlorophenyl)furan-2-yl]quinoline-4-carboxamide (CID 3320353) is N-(3-chlorophenyl)-2-[5-(2,5-dichlorophenyl)furan-2-yl]quinoline-4-carboxamide.
What is the SMILES notation for N-(3-chlorophenyl)-2-[5-(2,5-dichlorophenyl)furan-2-yl]quinoline-4-carboxamide?
The canonical SMILES for N-(3-chlorophenyl)-2-[5-(2,5-dichlorophenyl)furan-2-yl]quinoline-4-carboxamide is O=C(Nc1cccc(Cl)c1)c1cc(-c2ccc(-c3cc(Cl)ccc3Cl)o2)nc2ccccc12.
What is the InChIKey of N-(3-chlorophenyl)-2-[5-(2,5-dichlorophenyl)furan-2-yl]quinoline-4-carboxamide?
The InChIKey is LCZMTWMMOUDLAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H15Cl3N2O2/c27-15-4-3-5-17(12-15)30-26(32)19-14-23(31-22-7-2-1-6-18(19)22)25-11-10-24(33-25)20-13-16(28)8-9-21(20)29/h1-14H,(H,30,32).
What are the key properties of N-(3-chlorophenyl)-2-[5-(2,5-dichlorophenyl)furan-2-yl]quinoline-4-carboxamide?
N-(3-chlorophenyl)-2-[5-(2,5-dichlorophenyl)furan-2-yl]quinoline-4-carboxamide has a molecular weight of 493.78 g/mol, XLogP of 8.37, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-2-[5-(2,5-dichlorophenyl)furan-2-yl]quinoline-4-carboxamide is sourced from PubChem (CID 3320353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).