2-(4-methylphenyl)-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]quinoline-4-carboxamide

C22H21N5O — CID 56911423

IUPAC2-(4-methylphenyl)-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]quinoline-4-carboxamide
SMILESCc1ccc(-c2cc(C(=O)NC(C)Cn3cncn3)c3ccccc3n2)cc1
InChIInChI=1S/C22H21N5O/c1-15-7-9-17(10-8-15)21-11-19(18-5-3-4-6-20(18)26-21)22(28)25-16(2)12-27-14-23-13-24-27/h3-11,13-14,16H,12H2,1-2H3,(H,25,28)
InChIKeyBICSGMFWUALCJB-UHFFFAOYSA-N
MW371.44 g/mol
LogP3.62
Rot. Bonds5

About 2-(4-methylphenyl)-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]quinoline-4-carboxamide

2-(4-methylphenyl)-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]quinoline-4-carboxamide (PubChem CID 56911423) has the molecular formula C22H21N5O and a molecular weight of 371.44 g/mol. Its IUPAC name is 2-(4-methylphenyl)-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(4-methylphenyl)-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]quinoline-4-carboxamide
PubChem CID56911423
Molecular FormulaC22H21N5O
Molecular Weight371.44 g/mol
Exact Mass371.17
IUPAC Name2-(4-methylphenyl)-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]quinoline-4-carboxamide
SMILESCc1ccc(-c2cc(C(=O)NC(C)Cn3cncn3)c3ccccc3n2)cc1
InChIInChI=1S/C22H21N5O/c1-15-7-9-17(10-8-15)21-11-19(18-5-3-4-6-20(18)26-21)22(28)25-16(2)12-27-14-23-13-24-27/h3-11,13-14,16H,12H2,1-2H3,(H,25,28)
InChIKeyBICSGMFWUALCJB-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

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Related Compounds

2-(3-methylphenyl)-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]benzamide
CID 91795549
5-methyl-2-phenyl-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]furan-3-carboxamide
CID 45246576
N-[(2S)-pentan-2-yl]-2-pyridin-4-ylquinoline-4-carboxamide
CID 25337304
2-(4-chlorophenyl)-N-[2-[[2-(4-chlorophenyl)quinoline-4-carbonyl]amino]propyl]quinoline-4-carboxamide
CID 5141556
N-(1-imidazol-1-ylpropan-2-yl)-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide
CID 55964066
2-(benzylamino)-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]benzamide
CID 75394822
N-[1-(4-methylphenyl)propyl]-2-phenylquinoline-4-carboxamide
CID 3306619
2-(4-methoxyphenyl)-N-[(2R)-2-[[2-(4-methoxyphenyl)quinoline-4-carbonyl]amino]propyl]quinoline-4-carboxamide
CID 2165480
2-(1-methylpyrazol-4-yl)-N-(1-pyrrolidin-1-ylpropan-2-yl)quinoline-4-carboxamide
CID 46977229
5-methyl-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]-1H-indazole-3-carboxamide
CID 86846020
N-[2,2-dimethyl-3-[[2-(4-methylphenyl)quinoline-4-carbonyl]amino]propyl]-2-(4-methylphenyl)quinoline-4-carboxamide
CID 2334871
2-(4-chlorophenyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]quinoline-4-carboxamide
CID 9299791

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]quinoline-4-carboxamide?
The IUPAC name of 2-(4-methylphenyl)-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]quinoline-4-carboxamide (CID 56911423) is 2-(4-methylphenyl)-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]quinoline-4-carboxamide.
What is the SMILES notation for 2-(4-methylphenyl)-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]quinoline-4-carboxamide?
The canonical SMILES for 2-(4-methylphenyl)-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]quinoline-4-carboxamide is Cc1ccc(-c2cc(C(=O)NC(C)Cn3cncn3)c3ccccc3n2)cc1.
What is the InChIKey of 2-(4-methylphenyl)-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]quinoline-4-carboxamide?
The InChIKey is BICSGMFWUALCJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O/c1-15-7-9-17(10-8-15)21-11-19(18-5-3-4-6-20(18)26-21)22(28)25-16(2)12-27-14-23-13-24-27/h3-11,13-14,16H,12H2,1-2H3,(H,25,28).
What are the key properties of 2-(4-methylphenyl)-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]quinoline-4-carboxamide?
2-(4-methylphenyl)-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]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-(4-methylphenyl)-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]quinoline-4-carboxamide is sourced from PubChem (CID 56911423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).