(3S)-1-methyl-N-(4-phenyl-1,2,4-triazol-3-yl)-3,4-dihydro-2H-quinoline-3-carboxamide

C19H19N5O — CID 124739466

IUPAC(3S)-1-methyl-N-(4-phenyl-1,2,4-triazol-3-yl)-3,4-dihydro-2H-quinoline-3-carboxamide
SMILESCN1C[C@@H](C(=O)Nc2nncn2-c2ccccc2)Cc2ccccc21
InChIInChI=1S/C19H19N5O/c1-23-12-15(11-14-7-5-6-10-17(14)23)18(25)21-19-22-20-13-24(19)16-8-3-2-4-9-16/h2-10,13,15H,11-12H2,1H3,(H,21,22,25)/t15-/m0/s1
InChIKeySTRYKZKHCBHCGS-HNNXBMFYSA-N
MW333.39 g/mol
LogP2.51
Rot. Bonds3

About (3S)-1-methyl-N-(4-phenyl-1,2,4-triazol-3-yl)-3,4-dihydro-2H-quinoline-3-carboxamide

(3S)-1-methyl-N-(4-phenyl-1,2,4-triazol-3-yl)-3,4-dihydro-2H-quinoline-3-carboxamide (PubChem CID 124739466) has the molecular formula C19H19N5O and a molecular weight of 333.39 g/mol. Its IUPAC name is (3S)-1-methyl-N-(4-phenyl-1,2,4-triazol-3-yl)-3,4-dihydro-2H-quinoline-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-methyl-N-(4-phenyl-1,2,4-triazol-3-yl)-3,4-dihydro-2H-quinoline-3-carboxamide
PubChem CID124739466
Molecular FormulaC19H19N5O
Molecular Weight333.39 g/mol
Exact Mass333.16
IUPAC Name(3S)-1-methyl-N-(4-phenyl-1,2,4-triazol-3-yl)-3,4-dihydro-2H-quinoline-3-carboxamide
SMILESCN1C[C@@H](C(=O)Nc2nncn2-c2ccccc2)Cc2ccccc21
InChIInChI=1S/C19H19N5O/c1-23-12-15(11-14-7-5-6-10-17(14)23)18(25)21-19-22-20-13-24(19)16-8-3-2-4-9-16/h2-10,13,15H,11-12H2,1H3,(H,21,22,25)/t15-/m0/s1
InChIKeySTRYKZKHCBHCGS-HNNXBMFYSA-N
XLogP2.51
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3S)-1-methyl-N-(4-phenyl-1,2,4-triazol-3-yl)-3,4-dihydro-2H-quinoline-3-carboxamide?
The IUPAC name of (3S)-1-methyl-N-(4-phenyl-1,2,4-triazol-3-yl)-3,4-dihydro-2H-quinoline-3-carboxamide (CID 124739466) is (3S)-1-methyl-N-(4-phenyl-1,2,4-triazol-3-yl)-3,4-dihydro-2H-quinoline-3-carboxamide.
What is the SMILES notation for (3S)-1-methyl-N-(4-phenyl-1,2,4-triazol-3-yl)-3,4-dihydro-2H-quinoline-3-carboxamide?
The canonical SMILES for (3S)-1-methyl-N-(4-phenyl-1,2,4-triazol-3-yl)-3,4-dihydro-2H-quinoline-3-carboxamide is CN1C[C@@H](C(=O)Nc2nncn2-c2ccccc2)Cc2ccccc21.
What is the InChIKey of (3S)-1-methyl-N-(4-phenyl-1,2,4-triazol-3-yl)-3,4-dihydro-2H-quinoline-3-carboxamide?
The InChIKey is STRYKZKHCBHCGS-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H19N5O/c1-23-12-15(11-14-7-5-6-10-17(14)23)18(25)21-19-22-20-13-24(19)16-8-3-2-4-9-16/h2-10,13,15H,11-12H2,1H3,(H,21,22,25)/t15-/m0/s1.
What are the key properties of (3S)-1-methyl-N-(4-phenyl-1,2,4-triazol-3-yl)-3,4-dihydro-2H-quinoline-3-carboxamide?
(3S)-1-methyl-N-(4-phenyl-1,2,4-triazol-3-yl)-3,4-dihydro-2H-quinoline-3-carboxamide has a molecular weight of 333.39 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-methyl-N-(4-phenyl-1,2,4-triazol-3-yl)-3,4-dihydro-2H-quinoline-3-carboxamide is sourced from PubChem (CID 124739466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).