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

C15H19N3O — CID 103130128

IUPAC(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-(1-methylpyrazol-3-yl)methanol
SMILESCN1CCCc2cc(C(O)c3ccn(C)n3)ccc21
InChIInChI=1S/C15H19N3O/c1-17-8-3-4-11-10-12(5-6-14(11)17)15(19)13-7-9-18(2)16-13/h5-7,9-10,15,19H,3-4,8H2,1-2H3
InChIKeyXUTLLVGSFJCNLH-UHFFFAOYSA-N
MW257.34 g/mol
LogP1.88
Rot. Bonds2

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

(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-(1-methylpyrazol-3-yl)methanol (PubChem CID 103130128) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is (1-methyl-3,4-dihydro-2H-quinolin-6-yl)-(1-methylpyrazol-3-yl)methanol.

Molecular Properties

Compound Name(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-(1-methylpyrazol-3-yl)methanol
PubChem CID103130128
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-(1-methylpyrazol-3-yl)methanol
SMILESCN1CCCc2cc(C(O)c3ccn(C)n3)ccc21
InChIInChI=1S/C15H19N3O/c1-17-8-3-4-11-10-12(5-6-14(11)17)15(19)13-7-9-18(2)16-13/h5-7,9-10,15,19H,3-4,8H2,1-2H3
InChIKeyXUTLLVGSFJCNLH-UHFFFAOYSA-N
XLogP1.88
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 51.88
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-ethylimidazol-2-yl)-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methanol
CID 63976074
(4-bromothiophen-3-yl)-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methanol
CID 79595705
(3-chloro-4-methylphenyl)-(1-methylpyrazol-3-yl)methanol
CID 103138629
5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(1-methylpyrazol-3-yl)methanol
CID 103138544
1-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-(1,3-thiazol-5-yl)ethanol
CID 112641845
1-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-3-(1-methylpyrazol-4-yl)propan-1-ol
CID 103005986
1-methyl-2-[(1R)-1-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]hydrazine
CID 59760276
2,2,2-trifluoro-1-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethanamine
CID 63898475
2-(3-fluorophenyl)-1-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethanol
CID 63896170
2-(5-bromothiophen-2-yl)-1-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethanol
CID 65151077
furan-3-yl-(1-methyl-2,3-dihydroindol-5-yl)methanol
CID 63948147
(2-ethylcyclohexyl)-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methanol
CID 63893497

Frequently Asked Questions

What is the IUPAC name of (1-methyl-3,4-dihydro-2H-quinolin-6-yl)-(1-methylpyrazol-3-yl)methanol?
The IUPAC name of (1-methyl-3,4-dihydro-2H-quinolin-6-yl)-(1-methylpyrazol-3-yl)methanol (CID 103130128) is (1-methyl-3,4-dihydro-2H-quinolin-6-yl)-(1-methylpyrazol-3-yl)methanol.
What is the SMILES notation for (1-methyl-3,4-dihydro-2H-quinolin-6-yl)-(1-methylpyrazol-3-yl)methanol?
The canonical SMILES for (1-methyl-3,4-dihydro-2H-quinolin-6-yl)-(1-methylpyrazol-3-yl)methanol is CN1CCCc2cc(C(O)c3ccn(C)n3)ccc21.
What is the InChIKey of (1-methyl-3,4-dihydro-2H-quinolin-6-yl)-(1-methylpyrazol-3-yl)methanol?
The InChIKey is XUTLLVGSFJCNLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-17-8-3-4-11-10-12(5-6-14(11)17)15(19)13-7-9-18(2)16-13/h5-7,9-10,15,19H,3-4,8H2,1-2H3.
What are the key properties of (1-methyl-3,4-dihydro-2H-quinolin-6-yl)-(1-methylpyrazol-3-yl)methanol?
(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-(1-methylpyrazol-3-yl)methanol has a molecular weight of 257.34 g/mol, XLogP of 1.88, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methyl-3,4-dihydro-2H-quinolin-6-yl)-(1-methylpyrazol-3-yl)methanol is sourced from PubChem (CID 103130128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).