2-(2,4-dichlorophenyl)-N-(1H-1,2,4-triazol-5-yl)quinoline-4-carboxamide

C18H11Cl2N5O — CID 35524053

IUPAC2-(2,4-dichlorophenyl)-N-(1H-1,2,4-triazol-5-yl)quinoline-4-carboxamide
SMILESO=C(Nc1ncn[nH]1)c1cc(-c2ccc(Cl)cc2Cl)nc2ccccc12
InChIInChI=1S/C18H11Cl2N5O/c19-10-5-6-12(14(20)7-10)16-8-13(11-3-1-2-4-15(11)23-16)17(26)24-18-21-9-22-25-18/h1-9H,(H2,21,22,24,25,26)
InChIKeyHTNASRZDNRDXCC-UHFFFAOYSA-N
MW384.23 g/mol
LogP4.58
Rot. Bonds3

About 2-(2,4-dichlorophenyl)-N-(1H-1,2,4-triazol-5-yl)quinoline-4-carboxamide

2-(2,4-dichlorophenyl)-N-(1H-1,2,4-triazol-5-yl)quinoline-4-carboxamide (PubChem CID 35524053) has the molecular formula C18H11Cl2N5O and a molecular weight of 384.23 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)-N-(1H-1,2,4-triazol-5-yl)quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(2,4-dichlorophenyl)-N-(1H-1,2,4-triazol-5-yl)quinoline-4-carboxamide
PubChem CID35524053
Molecular FormulaC18H11Cl2N5O
Molecular Weight384.23 g/mol
Exact Mass383.03
IUPAC Name2-(2,4-dichlorophenyl)-N-(1H-1,2,4-triazol-5-yl)quinoline-4-carboxamide
SMILESO=C(Nc1ncn[nH]1)c1cc(-c2ccc(Cl)cc2Cl)nc2ccccc12
InChIInChI=1S/C18H11Cl2N5O/c19-10-5-6-12(14(20)7-10)16-8-13(11-3-1-2-4-15(11)23-16)17(26)24-18-21-9-22-25-18/h1-9H,(H2,21,22,24,25,26)
InChIKeyHTNASRZDNRDXCC-UHFFFAOYSA-N
XLogP4.58
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.23
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-chlorophenyl)-2-(2,4-dichlorophenyl)quinoline-4-carboxamide
CID 3131012
2-(4-methylphenyl)-N-(1H-1,2,4-triazol-5-yl)quinoline-4-carboxamide
CID 30865928
2-pyridin-4-yl-N-(1H-1,2,4-triazol-5-yl)quinoline-4-carboxamide
CID 30865963
2-(2,4-dichlorophenyl)-N-pyridin-4-ylquinoline-4-carboxamide
CID 3601091
2-thiophen-2-yl-N-(1H-1,2,4-triazol-5-yl)quinoline-4-carboxamide
CID 30865965
2-(2,4-dichlorophenyl)-N-(2-nitrophenyl)quinoline-4-carboxamide
CID 3565307
2-(2,4-dichlorophenyl)-N-[(4-methylphenyl)methyl]quinoline-4-carboxamide
CID 4162780
N-(2,4-dichlorophenyl)-2-(2,4-dimethylphenyl)quinoline-4-carboxamide
CID 4306241
N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-2-(2-methylphenyl)quinoline-4-carboxamide
CID 3517701
2-(2-chlorophenyl)-N-[2-[[2-(2-chlorophenyl)quinoline-4-carbonyl]amino]ethyl]quinoline-4-carboxamide
CID 4581581
2-(2,4-dichlorophenyl)-N-(4-methylpiperazin-1-yl)quinoline-4-carboxamide
CID 4998339
N-(1-adamantyl)-2-(2,4-dichlorophenyl)quinoline-4-carboxamide
CID 3309301

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenyl)-N-(1H-1,2,4-triazol-5-yl)quinoline-4-carboxamide?
The IUPAC name of 2-(2,4-dichlorophenyl)-N-(1H-1,2,4-triazol-5-yl)quinoline-4-carboxamide (CID 35524053) is 2-(2,4-dichlorophenyl)-N-(1H-1,2,4-triazol-5-yl)quinoline-4-carboxamide.
What is the SMILES notation for 2-(2,4-dichlorophenyl)-N-(1H-1,2,4-triazol-5-yl)quinoline-4-carboxamide?
The canonical SMILES for 2-(2,4-dichlorophenyl)-N-(1H-1,2,4-triazol-5-yl)quinoline-4-carboxamide is O=C(Nc1ncn[nH]1)c1cc(-c2ccc(Cl)cc2Cl)nc2ccccc12.
What is the InChIKey of 2-(2,4-dichlorophenyl)-N-(1H-1,2,4-triazol-5-yl)quinoline-4-carboxamide?
The InChIKey is HTNASRZDNRDXCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11Cl2N5O/c19-10-5-6-12(14(20)7-10)16-8-13(11-3-1-2-4-15(11)23-16)17(26)24-18-21-9-22-25-18/h1-9H,(H2,21,22,24,25,26).
What are the key properties of 2-(2,4-dichlorophenyl)-N-(1H-1,2,4-triazol-5-yl)quinoline-4-carboxamide?
2-(2,4-dichlorophenyl)-N-(1H-1,2,4-triazol-5-yl)quinoline-4-carboxamide has a molecular weight of 384.23 g/mol, XLogP of 4.58, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenyl)-N-(1H-1,2,4-triazol-5-yl)quinoline-4-carboxamide is sourced from PubChem (CID 35524053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).