2-(4-chlorophenyl)-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]quinoline-4-carboxamide

C19H14ClN5O2 — CID 136993193

IUPAC2-(4-chlorophenyl)-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]quinoline-4-carboxamide
SMILESO=C(NCc1n[nH]c(=O)[nH]1)c1cc(-c2ccc(Cl)cc2)nc2ccccc12
InChIInChI=1S/C19H14ClN5O2/c20-12-7-5-11(6-8-12)16-9-14(13-3-1-2-4-15(13)22-16)18(26)21-10-17-23-19(27)25-24-17/h1-9H,10H2,(H,21,26)(H2,23,24,25,27)
InChIKeyLGTCHSIPKVBIDW-UHFFFAOYSA-N
MW379.81 g/mol
LogP2.90
Rot. Bonds4

About 2-(4-chlorophenyl)-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]quinoline-4-carboxamide

2-(4-chlorophenyl)-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]quinoline-4-carboxamide (PubChem CID 136993193) has the molecular formula C19H14ClN5O2 and a molecular weight of 379.81 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]quinoline-4-carboxamide
PubChem CID136993193
Molecular FormulaC19H14ClN5O2
Molecular Weight379.81 g/mol
Exact Mass379.08
IUPAC Name2-(4-chlorophenyl)-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]quinoline-4-carboxamide
SMILESO=C(NCc1n[nH]c(=O)[nH]1)c1cc(-c2ccc(Cl)cc2)nc2ccccc12
InChIInChI=1S/C19H14ClN5O2/c20-12-7-5-11(6-8-12)16-9-14(13-3-1-2-4-15(13)22-16)18(26)21-10-17-23-19(27)25-24-17/h1-9H,10H2,(H,21,26)(H2,23,24,25,27)
InChIKeyLGTCHSIPKVBIDW-UHFFFAOYSA-N
XLogP2.90
TPSA103.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.81
LogP ≤ 52.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-(4-chlorophenyl)-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]quinoline-4-carboxamide with MolForge

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Related Compounds

2-(4-chlorophenyl)-N-[2-[[2-(4-chlorophenyl)quinoline-4-carbonyl]amino]ethyl]quinoline-4-carboxamide
CID 5115230
2-(4-chlorophenyl)-N-(thiophen-2-ylmethyl)quinoline-4-carboxamide
CID 4304622
6-chloro-N-[(4-chlorophenyl)methyl]-2-phenylquinoline-4-carboxamide
CID 4632644
2-(4-chlorophenyl)-N-[2-[[2-(4-chlorophenyl)quinoline-4-carbonyl]amino]propyl]quinoline-4-carboxamide
CID 5141556
2-(4-chlorophenyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]quinoline-4-carboxamide
CID 9299791
2-(1,3-benzodioxol-5-yl)-N-[(4-chlorophenyl)methyl]quinoline-4-carboxamide
CID 3540757
N-(4-chlorophenyl)-2-(4-fluorophenyl)quinoline-4-carboxamide
CID 3131336
2-(4-chlorophenyl)-N-[3-(2-methoxyethoxy)propyl]quinoline-4-carboxamide
CID 55407847
2-(4-chlorophenyl)-N-[2-[4-[2-(4-chlorophenyl)quinoline-4-carbonyl]piperazin-1-yl]ethyl]quinoline-4-carboxamide
CID 4618121
N-benzyl-2-pyridin-4-ylquinoline-4-carboxamide
CID 757748
N-benzyl-2-(4-chlorophenyl)-6,8-dimethylquinoline-4-carboxamide
CID 19647542
[2-(methylamino)-2-oxoethyl] 2-[[2-(4-chlorophenyl)quinoline-4-carbonyl]amino]acetate
CID 8544012

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]quinoline-4-carboxamide?
The IUPAC name of 2-(4-chlorophenyl)-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]quinoline-4-carboxamide (CID 136993193) is 2-(4-chlorophenyl)-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]quinoline-4-carboxamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]quinoline-4-carboxamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]quinoline-4-carboxamide is O=C(NCc1n[nH]c(=O)[nH]1)c1cc(-c2ccc(Cl)cc2)nc2ccccc12.
What is the InChIKey of 2-(4-chlorophenyl)-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]quinoline-4-carboxamide?
The InChIKey is LGTCHSIPKVBIDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClN5O2/c20-12-7-5-11(6-8-12)16-9-14(13-3-1-2-4-15(13)22-16)18(26)21-10-17-23-19(27)25-24-17/h1-9H,10H2,(H,21,26)(H2,23,24,25,27).
What are the key properties of 2-(4-chlorophenyl)-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]quinoline-4-carboxamide?
2-(4-chlorophenyl)-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]quinoline-4-carboxamide has a molecular weight of 379.81 g/mol, XLogP of 2.90, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]quinoline-4-carboxamide is sourced from PubChem (CID 136993193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).