1-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-3-(1-methylpyrazol-4-yl)propan-1-ol

C17H23N3O — CID 103005986

IUPAC1-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-3-(1-methylpyrazol-4-yl)propan-1-ol
SMILESCN1CCCc2cc(C(O)CCc3cnn(C)c3)ccc21
InChIInChI=1S/C17H23N3O/c1-19-9-3-4-14-10-15(6-7-16(14)19)17(21)8-5-13-11-18-20(2)12-13/h6-7,10-12,17,21H,3-5,8-9H2,1-2H3
InChIKeyGPHBPJJJYWICFS-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.47
Rot. Bonds4

About 1-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-3-(1-methylpyrazol-4-yl)propan-1-ol

1-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-3-(1-methylpyrazol-4-yl)propan-1-ol (PubChem CID 103005986) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 1-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-3-(1-methylpyrazol-4-yl)propan-1-ol.

Molecular Properties

Compound Name1-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-3-(1-methylpyrazol-4-yl)propan-1-ol
PubChem CID103005986
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name1-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-3-(1-methylpyrazol-4-yl)propan-1-ol
SMILESCN1CCCc2cc(C(O)CCc3cnn(C)c3)ccc21
InChIInChI=1S/C17H23N3O/c1-19-9-3-4-14-10-15(6-7-16(14)19)17(21)8-5-13-11-18-20(2)12-13/h6-7,10-12,17,21H,3-5,8-9H2,1-2H3
InChIKeyGPHBPJJJYWICFS-UHFFFAOYSA-N
XLogP2.47
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-(1-methylpyrazol-4-yl)propan-1-ol
CID 103006159
1-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-3-piperazin-1-ylpropan-1-ol
CID 82074067
1-(1,3-benzodioxol-5-yl)-3-(1-methylpyrazol-4-yl)propan-1-ol
CID 103006036
1-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-(1,3-thiazol-5-yl)ethanol
CID 112641845
3-amino-1-(1-methyl-2,3-dihydroindol-5-yl)propan-1-ol
CID 79138292
2-(3-fluorophenyl)-1-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethanol
CID 63896170
(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-(1-methylpyrazol-3-yl)methanol
CID 103130128
4-methoxy-4-methyl-1-(1-methyl-2,3-dihydroindol-5-yl)pentan-1-ol
CID 103035119
2-(5-bromothiophen-2-yl)-1-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethanol
CID 65151077
1-methyl-2-[(1R)-1-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]hydrazine
CID 59760276
3-(1-methylpyrazol-4-yl)-1-(4-methyl-2-pyridinyl)propan-1-ol
CID 103008136
(1-ethylimidazol-2-yl)-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methanol
CID 63976074

Frequently Asked Questions

What is the IUPAC name of 1-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-3-(1-methylpyrazol-4-yl)propan-1-ol?
The IUPAC name of 1-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-3-(1-methylpyrazol-4-yl)propan-1-ol (CID 103005986) is 1-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-3-(1-methylpyrazol-4-yl)propan-1-ol.
What is the SMILES notation for 1-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-3-(1-methylpyrazol-4-yl)propan-1-ol?
The canonical SMILES for 1-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-3-(1-methylpyrazol-4-yl)propan-1-ol is CN1CCCc2cc(C(O)CCc3cnn(C)c3)ccc21.
What is the InChIKey of 1-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-3-(1-methylpyrazol-4-yl)propan-1-ol?
The InChIKey is GPHBPJJJYWICFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-19-9-3-4-14-10-15(6-7-16(14)19)17(21)8-5-13-11-18-20(2)12-13/h6-7,10-12,17,21H,3-5,8-9H2,1-2H3.
What are the key properties of 1-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-3-(1-methylpyrazol-4-yl)propan-1-ol?
1-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-3-(1-methylpyrazol-4-yl)propan-1-ol has a molecular weight of 285.39 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-3-(1-methylpyrazol-4-yl)propan-1-ol is sourced from PubChem (CID 103005986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).