[1-ethyl-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-3-yl]methanol

C16H21N3O — CID 145091312

IUPAC[1-ethyl-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-3-yl]methanol
SMILESCCN1CC(CO)Cc2cc(-c3cnn(C)c3)ccc21
InChIInChI=1S/C16H21N3O/c1-3-19-9-12(11-20)6-14-7-13(4-5-16(14)19)15-8-17-18(2)10-15/h4-5,7-8,10,12,20H,3,6,9,11H2,1-2H3
InChIKeyUXGNXTIDHJULPJ-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.08
Rot. Bonds3

About [1-ethyl-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-3-yl]methanol

[1-ethyl-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-3-yl]methanol (PubChem CID 145091312) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is [1-ethyl-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-3-yl]methanol.

Molecular Properties

Compound Name[1-ethyl-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-3-yl]methanol
PubChem CID145091312
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name[1-ethyl-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-3-yl]methanol
SMILESCCN1CC(CO)Cc2cc(-c3cnn(C)c3)ccc21
InChIInChI=1S/C16H21N3O/c1-3-19-9-12(11-20)6-14-7-13(4-5-16(14)19)15-8-17-18(2)10-15/h4-5,7-8,10,12,20H,3,6,9,11H2,1-2H3
InChIKeyUXGNXTIDHJULPJ-UHFFFAOYSA-N
XLogP2.08
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [1-ethyl-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-3-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3R)-3-ethyl-6-(1-methylpyrazol-4-yl)-1-propan-2-yl-3,4-dihydro-2H-quinoline
CID 121382739
3-methoxy-1-methyl-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinoline
CID 121385700
1,3-dimethyl-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinoline;heptane
CID 145105875
(3R)-3-ethynyl-1-methyl-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinoline
CID 139398485
hexane;1-methyl-5-(1-methylpyrazol-4-yl)-2,3-dihydroindole
CID 145091683
4-ethyl-7-(1-methylpyrazol-4-yl)-2,3-dihydro-1H-quinoxaline
CID 130440415
N-ethyl-6-(1-methylpyrazol-4-yl)-3-phenyl-N-propyl-3,4-dihydro-2H-quinolin-1-amine
CID 145091589
(3S)-3-ethyl-1-methyl-5-(1-methylpyrazol-4-yl)-2,3-dihydroindole
CID 121372758
6-(1-methylpyrazol-4-yl)-3-phenyl-1-propan-2-yl-3,4-dihydro-2H-quinoline
CID 121382684
(3R)-6-(1-methylpyrazol-4-yl)-3-phenyl-1-propan-2-yl-3,4-dihydro-2H-quinoline
CID 121382706
1-[4-amino-5-[3-(2,2-difluoroethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinoline-1-carboximidoyl]-3,6-dihydro-2H-pyridin-1-yl]ethanone
CID 145090481
5-(1-methylpyrazol-4-yl)-2,3-dihydroindol-1-amine
CID 176983699

Frequently Asked Questions

What is the IUPAC name of [1-ethyl-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-3-yl]methanol?
The IUPAC name of [1-ethyl-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-3-yl]methanol (CID 145091312) is [1-ethyl-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-3-yl]methanol.
What is the SMILES notation for [1-ethyl-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-3-yl]methanol?
The canonical SMILES for [1-ethyl-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-3-yl]methanol is CCN1CC(CO)Cc2cc(-c3cnn(C)c3)ccc21.
What is the InChIKey of [1-ethyl-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-3-yl]methanol?
The InChIKey is UXGNXTIDHJULPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-3-19-9-12(11-20)6-14-7-13(4-5-16(14)19)15-8-17-18(2)10-15/h4-5,7-8,10,12,20H,3,6,9,11H2,1-2H3.
What are the key properties of [1-ethyl-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-3-yl]methanol?
[1-ethyl-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-3-yl]methanol has a molecular weight of 271.36 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-ethyl-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-3-yl]methanol is sourced from PubChem (CID 145091312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).