1-(3,4-dihydro-2H-quinolin-1-yl)-2-[4-(1-hydroxyethyl)triazol-1-yl]ethanone

C15H18N4O2 — CID 80736020

IUPAC1-(3,4-dihydro-2H-quinolin-1-yl)-2-[4-(1-hydroxyethyl)triazol-1-yl]ethanone
SMILESCC(O)c1cn(CC(=O)N2CCCc3ccccc32)nn1
InChIInChI=1S/C15H18N4O2/c1-11(20)13-9-18(17-16-13)10-15(21)19-8-4-6-12-5-2-3-7-14(12)19/h2-3,5,7,9,11,20H,4,6,8,10H2,1H3
InChIKeyPAUJHLRIIJBUIY-UHFFFAOYSA-N
MW286.34 g/mol
LogP1.31
Rot. Bonds3

About 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[4-(1-hydroxyethyl)triazol-1-yl]ethanone

1-(3,4-dihydro-2H-quinolin-1-yl)-2-[4-(1-hydroxyethyl)triazol-1-yl]ethanone (PubChem CID 80736020) has the molecular formula C15H18N4O2 and a molecular weight of 286.34 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[4-(1-hydroxyethyl)triazol-1-yl]ethanone.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-quinolin-1-yl)-2-[4-(1-hydroxyethyl)triazol-1-yl]ethanone
PubChem CID80736020
Molecular FormulaC15H18N4O2
Molecular Weight286.34 g/mol
Exact Mass286.14
IUPAC Name1-(3,4-dihydro-2H-quinolin-1-yl)-2-[4-(1-hydroxyethyl)triazol-1-yl]ethanone
SMILESCC(O)c1cn(CC(=O)N2CCCc3ccccc32)nn1
InChIInChI=1S/C15H18N4O2/c1-11(20)13-9-18(17-16-13)10-15(21)19-8-4-6-12-5-2-3-7-14(12)19/h2-3,5,7,9,11,20H,4,6,8,10H2,1H3
InChIKeyPAUJHLRIIJBUIY-UHFFFAOYSA-N
XLogP1.31
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]triazol-4-yl]propanamide
CID 112532196
N-[1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]triazol-4-yl]acetamide
CID 112532191
2-[4-(1-aminopropyl)triazol-1-yl]-1-(2,3-dihydroindol-1-yl)ethanone
CID 106228324
1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]triazole-4-carboxylic acid
CID 62059098
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(4-methylpiperazin-1-yl)ethanone
CID 858988
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(1-propan-2-yltetrazol-5-yl)sulfanylethanone
CID 27138971
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(5-phenyltetrazol-2-yl)ethanone
CID 2433301
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(4-ethylpiperazin-1-yl)ethanone
CID 78789991
2-[4-(3-aminopropyl)triazol-1-yl]-1-(2,3-dihydroindol-1-yl)ethanone
CID 106221203
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[1-(2-methylpropyl)tetrazol-5-yl]sulfanylethanone
CID 36794907
2-chloro-1-(3,4-dihydro-2H-quinolin-1-yl)propan-1-one
CID 3271608
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[4-(4-fluorophenyl)pyrazol-1-yl]ethanone
CID 71801680

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[4-(1-hydroxyethyl)triazol-1-yl]ethanone?
The IUPAC name of 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[4-(1-hydroxyethyl)triazol-1-yl]ethanone (CID 80736020) is 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[4-(1-hydroxyethyl)triazol-1-yl]ethanone.
What is the SMILES notation for 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[4-(1-hydroxyethyl)triazol-1-yl]ethanone?
The canonical SMILES for 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[4-(1-hydroxyethyl)triazol-1-yl]ethanone is CC(O)c1cn(CC(=O)N2CCCc3ccccc32)nn1.
What is the InChIKey of 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[4-(1-hydroxyethyl)triazol-1-yl]ethanone?
The InChIKey is PAUJHLRIIJBUIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c1-11(20)13-9-18(17-16-13)10-15(21)19-8-4-6-12-5-2-3-7-14(12)19/h2-3,5,7,9,11,20H,4,6,8,10H2,1H3.
What are the key properties of 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[4-(1-hydroxyethyl)triazol-1-yl]ethanone?
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[4-(1-hydroxyethyl)triazol-1-yl]ethanone has a molecular weight of 286.34 g/mol, XLogP of 1.31, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[4-(1-hydroxyethyl)triazol-1-yl]ethanone is sourced from PubChem (CID 80736020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).