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

C23H18N4 — CID 10617844

IUPACN-benzyl-2-phenylpyrazolo[3,4-c]quinolin-4-amine
SMILESc1ccc(CNc2nc3ccccc3c3cn(-c4ccccc4)nc23)cc1
InChIInChI=1S/C23H18N4/c1-3-9-17(10-4-1)15-24-23-22-20(19-13-7-8-14-21(19)25-23)16-27(26-22)18-11-5-2-6-12-18/h1-14,16H,15H2,(H,24,25)
InChIKeyFDAGQFXWOKXHTR-UHFFFAOYSA-N
MW350.43 g/mol
LogP5.19
Rot. Bonds4

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

N-benzyl-2-phenylpyrazolo[3,4-c]quinolin-4-amine (PubChem CID 10617844) has the molecular formula C23H18N4 and a molecular weight of 350.43 g/mol. Its IUPAC name is N-benzyl-2-phenylpyrazolo[3,4-c]quinolin-4-amine.

Molecular Properties

Compound NameN-benzyl-2-phenylpyrazolo[3,4-c]quinolin-4-amine
PubChem CID10617844
Molecular FormulaC23H18N4
Molecular Weight350.43 g/mol
Exact Mass350.15
IUPAC NameN-benzyl-2-phenylpyrazolo[3,4-c]quinolin-4-amine
SMILESc1ccc(CNc2nc3ccccc3c3cn(-c4ccccc4)nc23)cc1
InChIInChI=1S/C23H18N4/c1-3-9-17(10-4-1)15-24-23-22-20(19-13-7-8-14-21(19)25-23)16-27(26-22)18-11-5-2-6-12-18/h1-14,16H,15H2,(H,24,25)
InChIKeyFDAGQFXWOKXHTR-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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Related Compounds

N6,N6-dimethyl-N4-[1-(phenylmethyl)-5-indazolyl]pyrido[3,4-d]pyrimidine-4,6-diamine
CID 6603857
Ldn-212854
CID 60182388
4-(6-(4-(1-Piperazinyl)phenyl)pyrazolo(1,5-a)pyrimidin-3-yl)quinoline
CID 25195294
1-{6-[(3r)-4,4-Difluoropiperidin-3-Yl]pyridin-2-Yl}-6-(6-Methylpyrazin-2-Yl)-1h-Pyrazolo[4,3-C]pyridine
CID 89914568
N-1H-indazol-5-yl-2-(6-methylpyridin-2-yl)quinazolin-4-amine
CID 9998128
1-(1-methylethyl)-3-quinolin-6-yl-1H-pyrazolo(3,4-d)pyrimidin-4-amine
CID 24905152
Pyridazino(4,3-c)isoquinoline, 6-(ethylmethylamino)-3-phenyl-
CID 13526625
Pyridazino(4,3-c)isoquinoline, 3-phenyl-6-(1-pyrrolidinyl)-
CID 13526627
2-Phenylimidazo[2,1-a]phthalazin-6-amine
CID 3765310
N-benzyl-5H-pyrimido[5,4-b]indol-4-amine
CID 814517
Pyrazolo[1,5-b]pyridazine deriv. 57
CID 6539399
Benzyl-(2-imidazol-1-yl-quinazolin-4-yl)-amine
CID 10266864

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-phenylpyrazolo[3,4-c]quinolin-4-amine?
The IUPAC name of N-benzyl-2-phenylpyrazolo[3,4-c]quinolin-4-amine (CID 10617844) is N-benzyl-2-phenylpyrazolo[3,4-c]quinolin-4-amine.
What is the SMILES notation for N-benzyl-2-phenylpyrazolo[3,4-c]quinolin-4-amine?
The canonical SMILES for N-benzyl-2-phenylpyrazolo[3,4-c]quinolin-4-amine is c1ccc(CNc2nc3ccccc3c3cn(-c4ccccc4)nc23)cc1.
What is the InChIKey of N-benzyl-2-phenylpyrazolo[3,4-c]quinolin-4-amine?
The InChIKey is FDAGQFXWOKXHTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N4/c1-3-9-17(10-4-1)15-24-23-22-20(19-13-7-8-14-21(19)25-23)16-27(26-22)18-11-5-2-6-12-18/h1-14,16H,15H2,(H,24,25).
What are the key properties of N-benzyl-2-phenylpyrazolo[3,4-c]quinolin-4-amine?
N-benzyl-2-phenylpyrazolo[3,4-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[3,4-c]quinolin-4-amine is sourced from PubChem (CID 10617844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).