N-benzyl-2-phenylpyrazolo[4,3-c]quinolin-4-amine

C23H18N4 — CID 11233413

IUPACN-benzyl-2-phenylpyrazolo[4,3-c]quinolin-4-amine
SMILESc1ccc(CNc2nc3ccccc3c3nn(-c4ccccc4)cc23)cc1
InChIInChI=1S/C23H18N4/c1-3-9-17(10-4-1)15-24-23-20-16-27(18-11-5-2-6-12-18)26-22(20)19-13-7-8-14-21(19)25-23/h1-14,16H,15H2,(H,24,25)
InChIKeyOWFJXVRKRPLGNW-UHFFFAOYSA-N
MW350.43 g/mol
LogP5.19
Rot. Bonds4

About N-benzyl-2-phenylpyrazolo[4,3-c]quinolin-4-amine

N-benzyl-2-phenylpyrazolo[4,3-c]quinolin-4-amine (PubChem CID 11233413) has the molecular formula C23H18N4 and a molecular weight of 350.43 g/mol. Its IUPAC name is N-benzyl-2-phenylpyrazolo[4,3-c]quinolin-4-amine.

Molecular Properties

Compound NameN-benzyl-2-phenylpyrazolo[4,3-c]quinolin-4-amine
PubChem CID11233413
Molecular FormulaC23H18N4
Molecular Weight350.43 g/mol
Exact Mass350.15
IUPAC NameN-benzyl-2-phenylpyrazolo[4,3-c]quinolin-4-amine
SMILESc1ccc(CNc2nc3ccccc3c3nn(-c4ccccc4)cc23)cc1
InChIInChI=1S/C23H18N4/c1-3-9-17(10-4-1)15-24-23-20-16-27(18-11-5-2-6-12-18)26-22(20)19-13-7-8-14-21(19)25-23/h1-14,16H,15H2,(H,24,25)
InChIKeyOWFJXVRKRPLGNW-UHFFFAOYSA-N
XLogP5.19
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.43
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-phenylpyrazolo[4,3-c]quinolin-4-amine?
The IUPAC name of N-benzyl-2-phenylpyrazolo[4,3-c]quinolin-4-amine (CID 11233413) is N-benzyl-2-phenylpyrazolo[4,3-c]quinolin-4-amine.
What is the SMILES notation for N-benzyl-2-phenylpyrazolo[4,3-c]quinolin-4-amine?
The canonical SMILES for N-benzyl-2-phenylpyrazolo[4,3-c]quinolin-4-amine is c1ccc(CNc2nc3ccccc3c3nn(-c4ccccc4)cc23)cc1.
What is the InChIKey of N-benzyl-2-phenylpyrazolo[4,3-c]quinolin-4-amine?
The InChIKey is OWFJXVRKRPLGNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N4/c1-3-9-17(10-4-1)15-24-23-20-16-27(18-11-5-2-6-12-18)26-22(20)19-13-7-8-14-21(19)25-23/h1-14,16H,15H2,(H,24,25).
What are the key properties of N-benzyl-2-phenylpyrazolo[4,3-c]quinolin-4-amine?
N-benzyl-2-phenylpyrazolo[4,3-c]quinolin-4-amine has a molecular weight of 350.43 g/mol, XLogP of 5.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-phenylpyrazolo[4,3-c]quinolin-4-amine is sourced from PubChem (CID 11233413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).