2,6-dimethyl-N-[(1R)-1-(4-propyl-1,2,4-triazol-3-yl)ethyl]quinoline-4-carboxamide

C19H23N5O — CID 95129499

IUPAC2,6-dimethyl-N-[(1R)-1-(4-propyl-1,2,4-triazol-3-yl)ethyl]quinoline-4-carboxamide
SMILESCCCn1cnnc1[C@@H](C)NC(=O)c1cc(C)nc2ccc(C)cc12
InChIInChI=1S/C19H23N5O/c1-5-8-24-11-20-23-18(24)14(4)22-19(25)16-10-13(3)21-17-7-6-12(2)9-15(16)17/h6-7,9-11,14H,5,8H2,1-4H3,(H,22,25)/t14-/m1/s1
InChIKeyKEGLYSASACEDFG-CQSZACIVSA-N
MW337.43 g/mol
LogP3.34
Rot. Bonds5

About 2,6-dimethyl-N-[(1R)-1-(4-propyl-1,2,4-triazol-3-yl)ethyl]quinoline-4-carboxamide

2,6-dimethyl-N-[(1R)-1-(4-propyl-1,2,4-triazol-3-yl)ethyl]quinoline-4-carboxamide (PubChem CID 95129499) has the molecular formula C19H23N5O and a molecular weight of 337.43 g/mol. Its IUPAC name is 2,6-dimethyl-N-[(1R)-1-(4-propyl-1,2,4-triazol-3-yl)ethyl]quinoline-4-carboxamide.

Molecular Properties

Compound Name2,6-dimethyl-N-[(1R)-1-(4-propyl-1,2,4-triazol-3-yl)ethyl]quinoline-4-carboxamide
PubChem CID95129499
Molecular FormulaC19H23N5O
Molecular Weight337.43 g/mol
Exact Mass337.19
IUPAC Name2,6-dimethyl-N-[(1R)-1-(4-propyl-1,2,4-triazol-3-yl)ethyl]quinoline-4-carboxamide
SMILESCCCn1cnnc1[C@@H](C)NC(=O)c1cc(C)nc2ccc(C)cc12
InChIInChI=1S/C19H23N5O/c1-5-8-24-11-20-23-18(24)14(4)22-19(25)16-10-13(3)21-17-7-6-12(2)9-15(16)17/h6-7,9-11,14H,5,8H2,1-4H3,(H,22,25)/t14-/m1/s1
InChIKeyKEGLYSASACEDFG-CQSZACIVSA-N
XLogP3.34
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.43
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2,6-dimethyl-N-[(1R)-1-(4-propyl-1,2,4-triazol-3-yl)ethyl]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

2-methyl-N-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]quinoline-4-carboxamide
CID 95279293
2-(2-aminoethoxy)-5-methyl-N-[1-(4-propyl-1,2,4-triazol-3-yl)ethyl]benzamide
CID 119065793
2,6-dimethyl-N-propan-2-ylquinoline-4-carboxamide
CID 18107936
N-(1-methoxypropan-2-yl)-2,6-dimethylquinoline-4-carboxamide
CID 18160978
N-[2-(diethylamino)propyl]-2,6-dimethylquinoline-4-carboxamide
CID 55675834
2,6-dimethyl-N-[3-(1,2,4-triazol-4-yl)propyl]quinoline-4-carboxamide
CID 70776674
2-fluoro-5-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzamide
CID 55083285
2,6-dimethyl-N-[4-(tetrazol-1-yl)phenyl]quinoline-4-carboxamide
CID 18079833
2,6-dimethyl-N-(1-thiophen-3-ylpropan-2-yl)quinoline-4-carboxamide
CID 55974194
3-(5-chloro-2-pyridinyl)-N-[1-(4-propyl-1,2,4-triazol-3-yl)ethyl]benzamide
CID 118767326
N-[(1R,2S)-1-hydroxy-1-(4-methoxyphenyl)propan-2-yl]-2,6-dimethylquinoline-4-carboxamide
CID 97071689
N-[(1R,2R)-1-hydroxy-1-(4-methoxyphenyl)propan-2-yl]-2,6-dimethylquinoline-4-carboxamide
CID 97071690

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-N-[(1R)-1-(4-propyl-1,2,4-triazol-3-yl)ethyl]quinoline-4-carboxamide?
The IUPAC name of 2,6-dimethyl-N-[(1R)-1-(4-propyl-1,2,4-triazol-3-yl)ethyl]quinoline-4-carboxamide (CID 95129499) is 2,6-dimethyl-N-[(1R)-1-(4-propyl-1,2,4-triazol-3-yl)ethyl]quinoline-4-carboxamide.
What is the SMILES notation for 2,6-dimethyl-N-[(1R)-1-(4-propyl-1,2,4-triazol-3-yl)ethyl]quinoline-4-carboxamide?
The canonical SMILES for 2,6-dimethyl-N-[(1R)-1-(4-propyl-1,2,4-triazol-3-yl)ethyl]quinoline-4-carboxamide is CCCn1cnnc1[C@@H](C)NC(=O)c1cc(C)nc2ccc(C)cc12.
What is the InChIKey of 2,6-dimethyl-N-[(1R)-1-(4-propyl-1,2,4-triazol-3-yl)ethyl]quinoline-4-carboxamide?
The InChIKey is KEGLYSASACEDFG-CQSZACIVSA-N. The full InChI is InChI=1S/C19H23N5O/c1-5-8-24-11-20-23-18(24)14(4)22-19(25)16-10-13(3)21-17-7-6-12(2)9-15(16)17/h6-7,9-11,14H,5,8H2,1-4H3,(H,22,25)/t14-/m1/s1.
What are the key properties of 2,6-dimethyl-N-[(1R)-1-(4-propyl-1,2,4-triazol-3-yl)ethyl]quinoline-4-carboxamide?
2,6-dimethyl-N-[(1R)-1-(4-propyl-1,2,4-triazol-3-yl)ethyl]quinoline-4-carboxamide has a molecular weight of 337.43 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-N-[(1R)-1-(4-propyl-1,2,4-triazol-3-yl)ethyl]quinoline-4-carboxamide is sourced from PubChem (CID 95129499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).