2-ethyl-7-methoxy-1-(2-phenylethyl)pyrazolo[3,4-c]quinoline

C21H21N3O — CID 141116299

IUPAC2-ethyl-7-methoxy-1-(2-phenylethyl)pyrazolo[3,4-c]quinoline
SMILESCCn1nc2cnc3cc(OC)ccc3c2c1CCc1ccccc1
InChIInChI=1S/C21H21N3O/c1-3-24-20(12-9-15-7-5-4-6-8-15)21-17-11-10-16(25-2)13-18(17)22-14-19(21)23-24/h4-8,10-11,13-14H,3,9,12H2,1-2H3
InChIKeyMKXKQRDOFBZFQQ-UHFFFAOYSA-N
MW331.42 g/mol
LogP4.40
Rot. Bonds5

About 2-ethyl-7-methoxy-1-(2-phenylethyl)pyrazolo[3,4-c]quinoline

2-ethyl-7-methoxy-1-(2-phenylethyl)pyrazolo[3,4-c]quinoline (PubChem CID 141116299) has the molecular formula C21H21N3O and a molecular weight of 331.42 g/mol. Its IUPAC name is 2-ethyl-7-methoxy-1-(2-phenylethyl)pyrazolo[3,4-c]quinoline.

Molecular Properties

Compound Name2-ethyl-7-methoxy-1-(2-phenylethyl)pyrazolo[3,4-c]quinoline
PubChem CID141116299
Molecular FormulaC21H21N3O
Molecular Weight331.42 g/mol
Exact Mass331.17
IUPAC Name2-ethyl-7-methoxy-1-(2-phenylethyl)pyrazolo[3,4-c]quinoline
SMILESCCn1nc2cnc3cc(OC)ccc3c2c1CCc1ccccc1
InChIInChI=1S/C21H21N3O/c1-3-24-20(12-9-15-7-5-4-6-8-15)21-17-11-10-16(25-2)13-18(17)22-14-19(21)23-24/h4-8,10-11,13-14H,3,9,12H2,1-2H3
InChIKeyMKXKQRDOFBZFQQ-UHFFFAOYSA-N
XLogP4.40
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethyl-6-methoxyindazole-3-carboxylic acid
CID 84724604
1-(4-methoxyphenyl)-3-methyl-5-(2-phenylethyl)pyrazole
CID 15505631
1-benzyl-5-methoxybenzimidazole
CID 10900689
7-methoxy-1-[(4-nitrosophenyl)methyl]imidazo[4,5-c]quinoline
CID 139490585
7-methoxy-4-[(E)-3-phenylprop-1-enyl]quinoline
CID 70913061
1-benzyl-6-methoxy-3-(5-methylfuran-2-yl)indazole
CID 91100368
1,4-diethoxy-2-[(4-methoxyphenyl)methyl]pyrazolo[3,4-c]quinoline
CID 70976924
1-(1-ethyl-4-methoxypyrazol-5-yl)-4-phenylbutan-1-amine
CID 105186612
1-(1-ethyl-4-methoxypyrazol-5-yl)-3-phenylpropan-1-ol
CID 114635552
azane;4-methoxy-2-methyl-1-phenylmethoxybenzene;hydrochloride
CID 174629169
6-methoxy-3-(2-phenylethyl)-1-benzothiophene
CID 22458950
6-methoxy-3-methyl-4-(2-phenylethylsulfanyl)-2H-pyrazolo[3,4-b]quinoline
CID 15285183

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-7-methoxy-1-(2-phenylethyl)pyrazolo[3,4-c]quinoline?
The IUPAC name of 2-ethyl-7-methoxy-1-(2-phenylethyl)pyrazolo[3,4-c]quinoline (CID 141116299) is 2-ethyl-7-methoxy-1-(2-phenylethyl)pyrazolo[3,4-c]quinoline.
What is the SMILES notation for 2-ethyl-7-methoxy-1-(2-phenylethyl)pyrazolo[3,4-c]quinoline?
The canonical SMILES for 2-ethyl-7-methoxy-1-(2-phenylethyl)pyrazolo[3,4-c]quinoline is CCn1nc2cnc3cc(OC)ccc3c2c1CCc1ccccc1.
What is the InChIKey of 2-ethyl-7-methoxy-1-(2-phenylethyl)pyrazolo[3,4-c]quinoline?
The InChIKey is MKXKQRDOFBZFQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O/c1-3-24-20(12-9-15-7-5-4-6-8-15)21-17-11-10-16(25-2)13-18(17)22-14-19(21)23-24/h4-8,10-11,13-14H,3,9,12H2,1-2H3.
What are the key properties of 2-ethyl-7-methoxy-1-(2-phenylethyl)pyrazolo[3,4-c]quinoline?
2-ethyl-7-methoxy-1-(2-phenylethyl)pyrazolo[3,4-c]quinoline has a molecular weight of 331.42 g/mol, XLogP of 4.40, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-7-methoxy-1-(2-phenylethyl)pyrazolo[3,4-c]quinoline is sourced from PubChem (CID 141116299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).