5-methyl-2-[8-[(2-methylphenyl)methoxy]quinolin-2-yl]pyrazol-3-amine

C21H20N4O — CID 82108382

IUPAC5-methyl-2-[8-[(2-methylphenyl)methoxy]quinolin-2-yl]pyrazol-3-amine
SMILESCc1cc(N)n(-c2ccc3cccc(OCc4ccccc4C)c3n2)n1
InChIInChI=1S/C21H20N4O/c1-14-6-3-4-7-17(14)13-26-18-9-5-8-16-10-11-20(23-21(16)18)25-19(22)12-15(2)24-25/h3-12H,13,22H2,1-2H3
InChIKeyCSGLZPUWWXBKCJ-UHFFFAOYSA-N
MW344.42 g/mol
LogP4.20
Rot. Bonds4

About 5-methyl-2-[8-[(2-methylphenyl)methoxy]quinolin-2-yl]pyrazol-3-amine

5-methyl-2-[8-[(2-methylphenyl)methoxy]quinolin-2-yl]pyrazol-3-amine (PubChem CID 82108382) has the molecular formula C21H20N4O and a molecular weight of 344.42 g/mol. Its IUPAC name is 5-methyl-2-[8-[(2-methylphenyl)methoxy]quinolin-2-yl]pyrazol-3-amine.

Molecular Properties

Compound Name5-methyl-2-[8-[(2-methylphenyl)methoxy]quinolin-2-yl]pyrazol-3-amine
PubChem CID82108382
Molecular FormulaC21H20N4O
Molecular Weight344.42 g/mol
Exact Mass344.16
IUPAC Name5-methyl-2-[8-[(2-methylphenyl)methoxy]quinolin-2-yl]pyrazol-3-amine
SMILESCc1cc(N)n(-c2ccc3cccc(OCc4ccccc4C)c3n2)n1
InChIInChI=1S/C21H20N4O/c1-14-6-3-4-7-17(14)13-26-18-9-5-8-16-10-11-20(23-21(16)18)25-19(22)12-15(2)24-25/h3-12H,13,22H2,1-2H3
InChIKeyCSGLZPUWWXBKCJ-UHFFFAOYSA-N
XLogP4.20
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[2-(5-amino-3-methylpyrazol-1-yl)quinolin-8-yl]oxypropanoate
CID 82108485
ethyl 2-[2-(3,5-dimethylpyrazol-1-yl)quinolin-8-yl]oxyacetate
CID 82108488
2-(3,5-dimethylpyrazol-1-yl)-8-methylquinoline
CID 122647894
2-(4-benzylpiperidin-1-yl)-8-[(2,5-dimethylphenyl)methoxy]quinoline
CID 16812587
2-[2-(3,5-dimethylpyrazol-1-yl)quinolin-8-yl]oxy-N-propylacetamide
CID 110382591
[3-[(2-methylquinolin-8-yl)oxymethyl]-2-pyridinyl]methanamine
CID 62893676
8-[(2,5-dimethylphenyl)methoxy]-2-[(3R)-3-methylpiperidin-1-yl]quinoline
CID 27487089
methyl 2-[2-(3,5-dimethylpyrazol-1-yl)quinolin-8-yl]oxypropanoate
CID 82108492
[4-[(2-methylquinolin-8-yl)oxymethyl]-2-pyridinyl]methanamine
CID 63887490
2,3-dimethyl-8-[(2-methylphenyl)methoxy]imidazo[1,2-a]pyridine
CID 117061944
[8-(naphthalen-1-ylmethoxy)quinolin-2-yl]hydrazine
CID 82108438
4-methyl-2-(quinolin-8-ylmethoxy)aniline
CID 28773261

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[8-[(2-methylphenyl)methoxy]quinolin-2-yl]pyrazol-3-amine?
The IUPAC name of 5-methyl-2-[8-[(2-methylphenyl)methoxy]quinolin-2-yl]pyrazol-3-amine (CID 82108382) is 5-methyl-2-[8-[(2-methylphenyl)methoxy]quinolin-2-yl]pyrazol-3-amine.
What is the SMILES notation for 5-methyl-2-[8-[(2-methylphenyl)methoxy]quinolin-2-yl]pyrazol-3-amine?
The canonical SMILES for 5-methyl-2-[8-[(2-methylphenyl)methoxy]quinolin-2-yl]pyrazol-3-amine is Cc1cc(N)n(-c2ccc3cccc(OCc4ccccc4C)c3n2)n1.
What is the InChIKey of 5-methyl-2-[8-[(2-methylphenyl)methoxy]quinolin-2-yl]pyrazol-3-amine?
The InChIKey is CSGLZPUWWXBKCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O/c1-14-6-3-4-7-17(14)13-26-18-9-5-8-16-10-11-20(23-21(16)18)25-19(22)12-15(2)24-25/h3-12H,13,22H2,1-2H3.
What are the key properties of 5-methyl-2-[8-[(2-methylphenyl)methoxy]quinolin-2-yl]pyrazol-3-amine?
5-methyl-2-[8-[(2-methylphenyl)methoxy]quinolin-2-yl]pyrazol-3-amine has a molecular weight of 344.42 g/mol, XLogP of 4.20, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[8-[(2-methylphenyl)methoxy]quinolin-2-yl]pyrazol-3-amine is sourced from PubChem (CID 82108382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).