2-ethyl-3-methyl-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]quinoline-4-carboxamide

C22H21N5O — CID 71893303

IUPAC2-ethyl-3-methyl-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]quinoline-4-carboxamide
SMILESCCc1nc2ccccc2c(C(=O)NCc2ccc(-n3cncn3)cc2)c1C
InChIInChI=1S/C22H21N5O/c1-3-19-15(2)21(18-6-4-5-7-20(18)26-19)22(28)24-12-16-8-10-17(11-9-16)27-14-23-13-25-27/h4-11,13-14H,3,12H2,1-2H3,(H,24,28)
InChIKeyNMMOLOCDUBWUTF-UHFFFAOYSA-N
MW371.44 g/mol
LogP3.62
Rot. Bonds5

About 2-ethyl-3-methyl-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]quinoline-4-carboxamide

2-ethyl-3-methyl-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]quinoline-4-carboxamide (PubChem CID 71893303) has the molecular formula C22H21N5O and a molecular weight of 371.44 g/mol. Its IUPAC name is 2-ethyl-3-methyl-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]quinoline-4-carboxamide.

Molecular Properties

Compound Name2-ethyl-3-methyl-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]quinoline-4-carboxamide
PubChem CID71893303
Molecular FormulaC22H21N5O
Molecular Weight371.44 g/mol
Exact Mass371.17
IUPAC Name2-ethyl-3-methyl-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]quinoline-4-carboxamide
SMILESCCc1nc2ccccc2c(C(=O)NCc2ccc(-n3cncn3)cc2)c1C
InChIInChI=1S/C22H21N5O/c1-3-19-15(2)21(18-6-4-5-7-20(18)26-19)22(28)24-12-16-8-10-17(11-9-16)27-14-23-13-25-27/h4-11,13-14H,3,12H2,1-2H3,(H,24,28)
InChIKeyNMMOLOCDUBWUTF-UHFFFAOYSA-N
XLogP3.62
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-ethyl-3-methyl-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]quinoline-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,5-dichloro-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]pyridine-4-carboxamide
CID 167814570
2-phenylsulfanyl-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]acetamide
CID 167764922
3-amino-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]propanamide;hydrochloride
CID 119295872
5-ethyl-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]-1H-pyrazole-3-carboxamide
CID 78899603
3-phenoxy-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]benzamide
CID 55732141
2-(1,3-benzothiazol-2-ylsulfanyl)-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]acetamide
CID 55732021
N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]indolizine-3-carboxamide
CID 162638492
1-(4-fluorophenyl)-4-methyl-2-oxo-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]pyridine-3-carboxamide
CID 172658394
3-ethoxy-4-(2-phenoxyethoxy)-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]benzamide
CID 55795864
[2-(benzylcarbamoylamino)-2-oxoethyl] 2-ethyl-3-methylquinoline-4-carboxylate
CID 2592643
2-amino-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]propanamide;hydrochloride
CID 119295878
4-methyl-2-oxo-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]-6-thia-1,8-diazatricyclo[7.5.0.03,7]tetradeca-3(7),4,8-triene-5-carboxamide
CID 55732336

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-methyl-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]quinoline-4-carboxamide?
The IUPAC name of 2-ethyl-3-methyl-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]quinoline-4-carboxamide (CID 71893303) is 2-ethyl-3-methyl-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]quinoline-4-carboxamide.
What is the SMILES notation for 2-ethyl-3-methyl-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]quinoline-4-carboxamide?
The canonical SMILES for 2-ethyl-3-methyl-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]quinoline-4-carboxamide is CCc1nc2ccccc2c(C(=O)NCc2ccc(-n3cncn3)cc2)c1C.
What is the InChIKey of 2-ethyl-3-methyl-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]quinoline-4-carboxamide?
The InChIKey is NMMOLOCDUBWUTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O/c1-3-19-15(2)21(18-6-4-5-7-20(18)26-19)22(28)24-12-16-8-10-17(11-9-16)27-14-23-13-25-27/h4-11,13-14H,3,12H2,1-2H3,(H,24,28).
What are the key properties of 2-ethyl-3-methyl-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]quinoline-4-carboxamide?
2-ethyl-3-methyl-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]quinoline-4-carboxamide has a molecular weight of 371.44 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-methyl-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]quinoline-4-carboxamide is sourced from PubChem (CID 71893303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).