[3-(2-chlorophenyl)triazol-4-yl]-[3-(hydroxymethyl)-3,4-dihydro-2H-quinolin-1-yl]methanone

C19H17ClN4O2 — CID 167901286

IUPAC[3-(2-chlorophenyl)triazol-4-yl]-[3-(hydroxymethyl)-3,4-dihydro-2H-quinolin-1-yl]methanone
SMILESO=C(c1cnnn1-c1ccccc1Cl)N1CC(CO)Cc2ccccc21
InChIInChI=1S/C19H17ClN4O2/c20-15-6-2-4-8-17(15)24-18(10-21-22-24)19(26)23-11-13(12-25)9-14-5-1-3-7-16(14)23/h1-8,10,13,25H,9,11-12H2
InChIKeyCJJAOMDXOCENIU-UHFFFAOYSA-N
MW368.82 g/mol
LogP2.73
Rot. Bonds3

About [3-(2-chlorophenyl)triazol-4-yl]-[3-(hydroxymethyl)-3,4-dihydro-2H-quinolin-1-yl]methanone

[3-(2-chlorophenyl)triazol-4-yl]-[3-(hydroxymethyl)-3,4-dihydro-2H-quinolin-1-yl]methanone (PubChem CID 167901286) has the molecular formula C19H17ClN4O2 and a molecular weight of 368.82 g/mol. Its IUPAC name is [3-(2-chlorophenyl)triazol-4-yl]-[3-(hydroxymethyl)-3,4-dihydro-2H-quinolin-1-yl]methanone.

Molecular Properties

Compound Name[3-(2-chlorophenyl)triazol-4-yl]-[3-(hydroxymethyl)-3,4-dihydro-2H-quinolin-1-yl]methanone
PubChem CID167901286
Molecular FormulaC19H17ClN4O2
Molecular Weight368.82 g/mol
Exact Mass368.10
IUPAC Name[3-(2-chlorophenyl)triazol-4-yl]-[3-(hydroxymethyl)-3,4-dihydro-2H-quinolin-1-yl]methanone
SMILESO=C(c1cnnn1-c1ccccc1Cl)N1CC(CO)Cc2ccccc21
InChIInChI=1S/C19H17ClN4O2/c20-15-6-2-4-8-17(15)24-18(10-21-22-24)19(26)23-11-13(12-25)9-14-5-1-3-7-16(14)23/h1-8,10,13,25H,9,11-12H2
InChIKeyCJJAOMDXOCENIU-UHFFFAOYSA-N
XLogP2.73
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.82
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [3-(2-chlorophenyl)triazol-4-yl]-[3-(hydroxymethyl)-3,4-dihydro-2H-quinolin-1-yl]methanone with MolForge

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Related Compounds

(2-fluoro-6-pyrazol-1-ylphenyl)-[3-(hydroxymethyl)-3,4-dihydro-2H-quinolin-1-yl]methanone
CID 167802031
(2-amino-3-chlorophenyl)-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 115540697
[3-(hydroxymethyl)-3,4-dihydro-2H-quinolin-1-yl]-(5-phenyl-2,3-dihydro-1,4-oxathiin-6-yl)methanone
CID 166250087
(3-amino-3,4-dihydro-2H-quinolin-1-yl)-(2-chloro-4-methylphenyl)methanone
CID 106862190
(2,5-dichloro-4-pyridinyl)-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 114918498
3-[1-(1-methyl-6-oxopyridine-2-carbonyl)-3,4-dihydro-2H-quinolin-3-yl]propanoic acid
CID 138028697
(2,6-dichloro-4-pyridinyl)-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 63373065
[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 57458707
3-[1-(5-methylpyrazine-2-carbonyl)-3,4-dihydro-2H-quinolin-3-yl]propanoic acid
CID 138028704
(3-amino-3,4-dihydro-2H-quinolin-1-yl)-(5-methylfuran-3-yl)methanone
CID 114821989
1-(3-ethyl-3,4-dihydro-2H-quinolin-1-yl)-3,3-dimethylbutan-1-one
CID 18735430
(2R,4S,5S)-5-amino-4-hydroxy-9-[(3R)-3-(hydroxymethyl)-3,4-dihydro-2H-quinolin-1-yl]-2,7,7-trimethyl-9-oxononanoic acid
CID 22882293

Frequently Asked Questions

What is the IUPAC name of [3-(2-chlorophenyl)triazol-4-yl]-[3-(hydroxymethyl)-3,4-dihydro-2H-quinolin-1-yl]methanone?
The IUPAC name of [3-(2-chlorophenyl)triazol-4-yl]-[3-(hydroxymethyl)-3,4-dihydro-2H-quinolin-1-yl]methanone (CID 167901286) is [3-(2-chlorophenyl)triazol-4-yl]-[3-(hydroxymethyl)-3,4-dihydro-2H-quinolin-1-yl]methanone.
What is the SMILES notation for [3-(2-chlorophenyl)triazol-4-yl]-[3-(hydroxymethyl)-3,4-dihydro-2H-quinolin-1-yl]methanone?
The canonical SMILES for [3-(2-chlorophenyl)triazol-4-yl]-[3-(hydroxymethyl)-3,4-dihydro-2H-quinolin-1-yl]methanone is O=C(c1cnnn1-c1ccccc1Cl)N1CC(CO)Cc2ccccc21.
What is the InChIKey of [3-(2-chlorophenyl)triazol-4-yl]-[3-(hydroxymethyl)-3,4-dihydro-2H-quinolin-1-yl]methanone?
The InChIKey is CJJAOMDXOCENIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN4O2/c20-15-6-2-4-8-17(15)24-18(10-21-22-24)19(26)23-11-13(12-25)9-14-5-1-3-7-16(14)23/h1-8,10,13,25H,9,11-12H2.
What are the key properties of [3-(2-chlorophenyl)triazol-4-yl]-[3-(hydroxymethyl)-3,4-dihydro-2H-quinolin-1-yl]methanone?
[3-(2-chlorophenyl)triazol-4-yl]-[3-(hydroxymethyl)-3,4-dihydro-2H-quinolin-1-yl]methanone has a molecular weight of 368.82 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-chlorophenyl)triazol-4-yl]-[3-(hydroxymethyl)-3,4-dihydro-2H-quinolin-1-yl]methanone is sourced from PubChem (CID 167901286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).