2-[4-methyl-2-(5-methyl-1-prop-2-enylpyrazol-4-yl)quinolin-6-yl]ethanol

C19H21N3O — CID 169419573

IUPAC2-[4-methyl-2-(5-methyl-1-prop-2-enylpyrazol-4-yl)quinolin-6-yl]ethanol
SMILESC=CCn1ncc(-c2cc(C)c3cc(CCO)ccc3n2)c1C
InChIInChI=1S/C19H21N3O/c1-4-8-22-14(3)17(12-20-22)19-10-13(2)16-11-15(7-9-23)5-6-18(16)21-19/h4-6,10-12,23H,1,7-9H2,2-3H3
InChIKeyHVOOLMQEBUYZLU-UHFFFAOYSA-N
MW307.40 g/mol
LogP3.44
Rot. Bonds5

About 2-[4-methyl-2-(5-methyl-1-prop-2-enylpyrazol-4-yl)quinolin-6-yl]ethanol

2-[4-methyl-2-(5-methyl-1-prop-2-enylpyrazol-4-yl)quinolin-6-yl]ethanol (PubChem CID 169419573) has the molecular formula C19H21N3O and a molecular weight of 307.40 g/mol. Its IUPAC name is 2-[4-methyl-2-(5-methyl-1-prop-2-enylpyrazol-4-yl)quinolin-6-yl]ethanol.

Molecular Properties

Compound Name2-[4-methyl-2-(5-methyl-1-prop-2-enylpyrazol-4-yl)quinolin-6-yl]ethanol
PubChem CID169419573
Molecular FormulaC19H21N3O
Molecular Weight307.40 g/mol
Exact Mass307.17
IUPAC Name2-[4-methyl-2-(5-methyl-1-prop-2-enylpyrazol-4-yl)quinolin-6-yl]ethanol
SMILESC=CCn1ncc(-c2cc(C)c3cc(CCO)ccc3n2)c1C
InChIInChI=1S/C19H21N3O/c1-4-8-22-14(3)17(12-20-22)19-10-13(2)16-11-15(7-9-23)5-6-18(16)21-19/h4-6,10-12,23H,1,7-9H2,2-3H3
InChIKeyHVOOLMQEBUYZLU-UHFFFAOYSA-N
XLogP3.44
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-[2-(1-ethyl-5-methylpyrazol-4-yl)-4-methylquinolin-6-yl]-N,N-dimethylpropanamide
CID 169420107
N-(2,6-dimethylphenyl)-2-(1-ethyl-5-methylpyrazol-4-yl)quinoline-4-carboxamide
CID 19512043
2-(2,3-dimethylimidazol-4-yl)-4-methyl-6-[2-(4-methylpiperazin-1-yl)ethyl]quinoline
CID 169421949
2-(1-ethyl-5-methylpyrazol-4-yl)-N-propan-2-ylquinoline-4-carboxamide
CID 19512119
4-methyl-2-[(1R)-1-[4-(5-methyl-1-prop-2-enylpyrazol-4-yl)triazol-1-yl]propyl]pyridine
CID 97129168
2-(1-ethyl-5-methylpyrazol-4-yl)-N-[(1-ethylpyrazol-4-yl)methyl]quinoline-4-carboxamide
CID 19512084
4-fluoro-2-[4-methyl-6-(methylsulfonylmethyl)quinolin-2-yl]phenol
CID 170509759
2-(1-ethyl-5-methylpyrazol-4-yl)-N-(2-methylpropyl)quinoline-4-carboxamide
CID 19512079
N-[3-(dimethylamino)propyl]-2-(1-ethyl-5-methylpyrazol-4-yl)quinoline-4-carboxamide
CID 19512118
N-(2,3-dimethylphenyl)-2-(1-ethyl-5-methylpyrazol-4-yl)quinoline-4-carboxamide
CID 19512000
formic acid;4-methyl-2-(1-methylpyrazol-4-yl)-6-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]quinoline
CID 171339678
2-[3-methyl-4-[4-methyl-6-(trifluoromethyl)quinolin-2-yl]pyrazol-1-yl]ethanol
CID 169421207

Frequently Asked Questions

What is the IUPAC name of 2-[4-methyl-2-(5-methyl-1-prop-2-enylpyrazol-4-yl)quinolin-6-yl]ethanol?
The IUPAC name of 2-[4-methyl-2-(5-methyl-1-prop-2-enylpyrazol-4-yl)quinolin-6-yl]ethanol (CID 169419573) is 2-[4-methyl-2-(5-methyl-1-prop-2-enylpyrazol-4-yl)quinolin-6-yl]ethanol.
What is the SMILES notation for 2-[4-methyl-2-(5-methyl-1-prop-2-enylpyrazol-4-yl)quinolin-6-yl]ethanol?
The canonical SMILES for 2-[4-methyl-2-(5-methyl-1-prop-2-enylpyrazol-4-yl)quinolin-6-yl]ethanol is C=CCn1ncc(-c2cc(C)c3cc(CCO)ccc3n2)c1C.
What is the InChIKey of 2-[4-methyl-2-(5-methyl-1-prop-2-enylpyrazol-4-yl)quinolin-6-yl]ethanol?
The InChIKey is HVOOLMQEBUYZLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O/c1-4-8-22-14(3)17(12-20-22)19-10-13(2)16-11-15(7-9-23)5-6-18(16)21-19/h4-6,10-12,23H,1,7-9H2,2-3H3.
What are the key properties of 2-[4-methyl-2-(5-methyl-1-prop-2-enylpyrazol-4-yl)quinolin-6-yl]ethanol?
2-[4-methyl-2-(5-methyl-1-prop-2-enylpyrazol-4-yl)quinolin-6-yl]ethanol has a molecular weight of 307.40 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-methyl-2-(5-methyl-1-prop-2-enylpyrazol-4-yl)quinolin-6-yl]ethanol is sourced from PubChem (CID 169419573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).