1-(8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-2-pyrazol-1-ylethanone

C14H15N3O2 — CID 55162887

IUPAC1-(8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-2-pyrazol-1-ylethanone
SMILESO=C(Cn1cccn1)N1CCCc2cccc(O)c21
InChIInChI=1S/C14H15N3O2/c18-12-6-1-4-11-5-2-9-17(14(11)12)13(19)10-16-8-3-7-15-16/h1,3-4,6-8,18H,2,5,9-10H2
InChIKeyIJXZKVPYHAVJNS-UHFFFAOYSA-N
MW257.29 g/mol
LogP1.57
Rot. Bonds2

About 1-(8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-2-pyrazol-1-ylethanone

1-(8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-2-pyrazol-1-ylethanone (PubChem CID 55162887) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is 1-(8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-2-pyrazol-1-ylethanone.

Molecular Properties

Compound Name1-(8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-2-pyrazol-1-ylethanone
PubChem CID55162887
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC Name1-(8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-2-pyrazol-1-ylethanone
SMILESO=C(Cn1cccn1)N1CCCc2cccc(O)c21
InChIInChI=1S/C14H15N3O2/c18-12-6-1-4-11-5-2-9-17(14(11)12)13(19)10-16-8-3-7-15-16/h1,3-4,6-8,18H,2,5,9-10H2
InChIKeyIJXZKVPYHAVJNS-UHFFFAOYSA-N
XLogP1.57
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-2-(4-hydroxyphenyl)ethanone
CID 63214929
N,N-diethyl-8-hydroxy-3,4-dihydro-2H-quinoline-1-carboxamide
CID 79161867
1-(8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-2-propan-2-yloxyethanone
CID 112602907
1-(8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-2-(1,2-oxazol-3-yl)ethanone
CID 75483818
1-(8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-3-(2,2,2-trifluoroethoxy)propan-1-one
CID 103879674
(8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-phenylmethanone
CID 15267724
(8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-pyrazin-2-ylmethanone
CID 63215592
1-(8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)but-2-yn-1-one
CID 106741641
(3-bromo-2-pyridinyl)-(8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 107519525
1-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-pyrazol-1-ylethanone
CID 39724234
1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-1-one
CID 60704653
2-[(3-hydroxy-2-pyridinyl)sulfanyl]-1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 143644946

Frequently Asked Questions

What is the IUPAC name of 1-(8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-2-pyrazol-1-ylethanone?
The IUPAC name of 1-(8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-2-pyrazol-1-ylethanone (CID 55162887) is 1-(8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-2-pyrazol-1-ylethanone.
What is the SMILES notation for 1-(8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-2-pyrazol-1-ylethanone?
The canonical SMILES for 1-(8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-2-pyrazol-1-ylethanone is O=C(Cn1cccn1)N1CCCc2cccc(O)c21.
What is the InChIKey of 1-(8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-2-pyrazol-1-ylethanone?
The InChIKey is IJXZKVPYHAVJNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c18-12-6-1-4-11-5-2-9-17(14(11)12)13(19)10-16-8-3-7-15-16/h1,3-4,6-8,18H,2,5,9-10H2.
What are the key properties of 1-(8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-2-pyrazol-1-ylethanone?
1-(8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-2-pyrazol-1-ylethanone has a molecular weight of 257.29 g/mol, XLogP of 1.57, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-2-pyrazol-1-ylethanone is sourced from PubChem (CID 55162887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).