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

C20H17N5O — CID 155775820

IUPACN-[2-phenyl-2-(1,2,4-triazol-1-yl)ethyl]quinoline-2-carboxamide
SMILESO=C(NCC(c1ccccc1)n1cncn1)c1ccc2ccccc2n1
InChIInChI=1S/C20H17N5O/c26-20(18-11-10-15-6-4-5-9-17(15)24-18)22-12-19(25-14-21-13-23-25)16-7-2-1-3-8-16/h1-11,13-14,19H,12H2,(H,22,26)
InChIKeyFXVQXYSYJFXJJB-UHFFFAOYSA-N
MW343.39 g/mol
LogP2.85
Rot. Bonds5

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

N-[2-phenyl-2-(1,2,4-triazol-1-yl)ethyl]quinoline-2-carboxamide (PubChem CID 155775820) has the molecular formula C20H17N5O and a molecular weight of 343.39 g/mol. Its IUPAC name is N-[2-phenyl-2-(1,2,4-triazol-1-yl)ethyl]quinoline-2-carboxamide.

Molecular Properties

Compound NameN-[2-phenyl-2-(1,2,4-triazol-1-yl)ethyl]quinoline-2-carboxamide
PubChem CID155775820
Molecular FormulaC20H17N5O
Molecular Weight343.39 g/mol
Exact Mass343.14
IUPAC NameN-[2-phenyl-2-(1,2,4-triazol-1-yl)ethyl]quinoline-2-carboxamide
SMILESO=C(NCC(c1ccccc1)n1cncn1)c1ccc2ccccc2n1
InChIInChI=1S/C20H17N5O/c26-20(18-11-10-15-6-4-5-9-17(15)24-18)22-12-19(25-14-21-13-23-25)16-7-2-1-3-8-16/h1-11,13-14,19H,12H2,(H,22,26)
InChIKeyFXVQXYSYJFXJJB-UHFFFAOYSA-N
XLogP2.85
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-phenylbutyl)quinoline-2-carboxamide
CID 46635493
N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]quinoline-2-carboxamide
CID 41411203
N-(2-chlorobutyl)quinoline-2-carboxamide
CID 113492870
N-(2-oxoethyl)quinoline-2-carboxamide
CID 134322736
N-[3-(quinoline-2-carbonylamino)propyl]quinoline-2-carboxamide
CID 11603405
(3R)-1,3-diphenyl-3-(1,2,4-triazol-1-yl)propan-1-one
CID 40573311
3-methoxy-4-(quinoline-2-carbonylamino)butanoic acid
CID 103152204
N-[6-(quinoline-2-carbonylamino)hexyl]quinoline-2-carboxamide
CID 139197064
N-(4-amino-2-methylbutyl)quinoline-2-carboxamide
CID 66089499
N-(4-chloro-2-methylbutyl)quinoline-2-carboxamide
CID 114306159
N-(2-chloro-3-methoxypropyl)quinoline-2-carboxamide
CID 114298870
N-[(2S)-2-(3,4-difluorophenyl)-2-hydroxyethyl]quinoline-2-carboxamide
CID 38511415

Frequently Asked Questions

What is the IUPAC name of N-[2-phenyl-2-(1,2,4-triazol-1-yl)ethyl]quinoline-2-carboxamide?
The IUPAC name of N-[2-phenyl-2-(1,2,4-triazol-1-yl)ethyl]quinoline-2-carboxamide (CID 155775820) is N-[2-phenyl-2-(1,2,4-triazol-1-yl)ethyl]quinoline-2-carboxamide.
What is the SMILES notation for N-[2-phenyl-2-(1,2,4-triazol-1-yl)ethyl]quinoline-2-carboxamide?
The canonical SMILES for N-[2-phenyl-2-(1,2,4-triazol-1-yl)ethyl]quinoline-2-carboxamide is O=C(NCC(c1ccccc1)n1cncn1)c1ccc2ccccc2n1.
What is the InChIKey of N-[2-phenyl-2-(1,2,4-triazol-1-yl)ethyl]quinoline-2-carboxamide?
The InChIKey is FXVQXYSYJFXJJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O/c26-20(18-11-10-15-6-4-5-9-17(15)24-18)22-12-19(25-14-21-13-23-25)16-7-2-1-3-8-16/h1-11,13-14,19H,12H2,(H,22,26).
What are the key properties of N-[2-phenyl-2-(1,2,4-triazol-1-yl)ethyl]quinoline-2-carboxamide?
N-[2-phenyl-2-(1,2,4-triazol-1-yl)ethyl]quinoline-2-carboxamide has a molecular weight of 343.39 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-phenyl-2-(1,2,4-triazol-1-yl)ethyl]quinoline-2-carboxamide is sourced from PubChem (CID 155775820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).