N-quinolin-5-yl-3-(1,2,4-triazol-1-yl)propanamide

C14H13N5O — CID 24653404

IUPACN-quinolin-5-yl-3-(1,2,4-triazol-1-yl)propanamide
SMILESO=C(CCn1cncn1)Nc1cccc2ncccc12
InChIInChI=1S/C14H13N5O/c20-14(6-8-19-10-15-9-17-19)18-13-5-1-4-12-11(13)3-2-7-16-12/h1-5,7,9-10H,6,8H2,(H,18,20)
InChIKeyUQECOXBSEIRJBO-UHFFFAOYSA-N
MW267.29 g/mol
LogP1.86
Rot. Bonds4

About N-quinolin-5-yl-3-(1,2,4-triazol-1-yl)propanamide

N-quinolin-5-yl-3-(1,2,4-triazol-1-yl)propanamide (PubChem CID 24653404) has the molecular formula C14H13N5O and a molecular weight of 267.29 g/mol. Its IUPAC name is N-quinolin-5-yl-3-(1,2,4-triazol-1-yl)propanamide.

Molecular Properties

Compound NameN-quinolin-5-yl-3-(1,2,4-triazol-1-yl)propanamide
PubChem CID24653404
Molecular FormulaC14H13N5O
Molecular Weight267.29 g/mol
Exact Mass267.11
IUPAC NameN-quinolin-5-yl-3-(1,2,4-triazol-1-yl)propanamide
SMILESO=C(CCn1cncn1)Nc1cccc2ncccc12
InChIInChI=1S/C14H13N5O/c20-14(6-8-19-10-15-9-17-19)18-13-5-1-4-12-11(13)3-2-7-16-12/h1-5,7,9-10H,6,8H2,(H,18,20)
InChIKeyUQECOXBSEIRJBO-UHFFFAOYSA-N
XLogP1.86
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-chlorophenyl)-3-(1,2,4-triazol-1-yl)propanamide
CID 47137005
N-(3-chloro-2-pyridinyl)-3-(1,2,4-triazol-1-yl)propanamide
CID 103094459
2-chloro-N-quinolin-5-ylacetamide;hydrochloride
CID 155943918
N-(2-sulfamoylphenyl)-3-(1,2,4-triazol-1-yl)propanamide
CID 61130907
N-(1H-indazol-7-yl)-3-(1,2,4-triazol-1-yl)propanamide
CID 24669397
N-(pyridin-3-ylmethyl)-3-(1,2,4-triazol-1-yl)propanamide
CID 35582382
3-(3,5-dimethylpyrazolidin-4-yl)-N-quinolin-5-ylpropanamide
CID 134067274
N-(4-chloro-2-fluorophenyl)-3-(1,2,4-triazol-1-yl)propanamide
CID 24663704
N-[2-(3-hydroxyprop-1-ynyl)phenyl]-3-(1,2,4-triazol-1-yl)propanamide
CID 60802050
2-(4-hydroxyphenyl)-N-quinolin-5-ylacetamide
CID 78838145
3,3-dimethyl-N-quinolin-5-ylbutanamide
CID 24654624
N-(3-aminophenyl)-3-(1,2,4-triazol-1-yl)propanamide
CID 16793646

Frequently Asked Questions

What is the IUPAC name of N-quinolin-5-yl-3-(1,2,4-triazol-1-yl)propanamide?
The IUPAC name of N-quinolin-5-yl-3-(1,2,4-triazol-1-yl)propanamide (CID 24653404) is N-quinolin-5-yl-3-(1,2,4-triazol-1-yl)propanamide.
What is the SMILES notation for N-quinolin-5-yl-3-(1,2,4-triazol-1-yl)propanamide?
The canonical SMILES for N-quinolin-5-yl-3-(1,2,4-triazol-1-yl)propanamide is O=C(CCn1cncn1)Nc1cccc2ncccc12.
What is the InChIKey of N-quinolin-5-yl-3-(1,2,4-triazol-1-yl)propanamide?
The InChIKey is UQECOXBSEIRJBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5O/c20-14(6-8-19-10-15-9-17-19)18-13-5-1-4-12-11(13)3-2-7-16-12/h1-5,7,9-10H,6,8H2,(H,18,20).
What are the key properties of N-quinolin-5-yl-3-(1,2,4-triazol-1-yl)propanamide?
N-quinolin-5-yl-3-(1,2,4-triazol-1-yl)propanamide has a molecular weight of 267.29 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-quinolin-5-yl-3-(1,2,4-triazol-1-yl)propanamide is sourced from PubChem (CID 24653404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).