1,3-dimethyl-N-[(1S)-1-phenylethyl]pyrazolo[3,4-b]quinolin-4-amine

C20H20N4 — CID 70088815

IUPAC1,3-dimethyl-N-[(1S)-1-phenylethyl]pyrazolo[3,4-b]quinolin-4-amine
SMILESCc1nn(C)c2nc3ccccc3c(N[C@@H](C)c3ccccc3)c12
InChIInChI=1S/C20H20N4/c1-13(15-9-5-4-6-10-15)21-19-16-11-7-8-12-17(16)22-20-18(19)14(2)23-24(20)3/h4-13H,1-3H3,(H,21,22)/t13-/m0/s1
InChIKeyVYXLUXGMFZDGPZ-ZDUSSCGKSA-N
MW316.41 g/mol
LogP4.60
Rot. Bonds3

About 1,3-dimethyl-N-[(1S)-1-phenylethyl]pyrazolo[3,4-b]quinolin-4-amine

1,3-dimethyl-N-[(1S)-1-phenylethyl]pyrazolo[3,4-b]quinolin-4-amine (PubChem CID 70088815) has the molecular formula C20H20N4 and a molecular weight of 316.41 g/mol. Its IUPAC name is 1,3-dimethyl-N-[(1S)-1-phenylethyl]pyrazolo[3,4-b]quinolin-4-amine.

Molecular Properties

Compound Name1,3-dimethyl-N-[(1S)-1-phenylethyl]pyrazolo[3,4-b]quinolin-4-amine
PubChem CID70088815
Molecular FormulaC20H20N4
Molecular Weight316.41 g/mol
Exact Mass316.17
IUPAC Name1,3-dimethyl-N-[(1S)-1-phenylethyl]pyrazolo[3,4-b]quinolin-4-amine
SMILESCc1nn(C)c2nc3ccccc3c(N[C@@H](C)c3ccccc3)c12
InChIInChI=1S/C20H20N4/c1-13(15-9-5-4-6-10-15)21-19-16-11-7-8-12-17(16)22-20-18(19)14(2)23-24(20)3/h4-13H,1-3H3,(H,21,22)/t13-/m0/s1
InChIKeyVYXLUXGMFZDGPZ-ZDUSSCGKSA-N
XLogP4.60
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-N-[(1S)-1-phenylethyl]pyrazolo[3,4-b]quinolin-4-amine?
The IUPAC name of 1,3-dimethyl-N-[(1S)-1-phenylethyl]pyrazolo[3,4-b]quinolin-4-amine (CID 70088815) is 1,3-dimethyl-N-[(1S)-1-phenylethyl]pyrazolo[3,4-b]quinolin-4-amine.
What is the SMILES notation for 1,3-dimethyl-N-[(1S)-1-phenylethyl]pyrazolo[3,4-b]quinolin-4-amine?
The canonical SMILES for 1,3-dimethyl-N-[(1S)-1-phenylethyl]pyrazolo[3,4-b]quinolin-4-amine is Cc1nn(C)c2nc3ccccc3c(N[C@@H](C)c3ccccc3)c12.
What is the InChIKey of 1,3-dimethyl-N-[(1S)-1-phenylethyl]pyrazolo[3,4-b]quinolin-4-amine?
The InChIKey is VYXLUXGMFZDGPZ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C20H20N4/c1-13(15-9-5-4-6-10-15)21-19-16-11-7-8-12-17(16)22-20-18(19)14(2)23-24(20)3/h4-13H,1-3H3,(H,21,22)/t13-/m0/s1.
What are the key properties of 1,3-dimethyl-N-[(1S)-1-phenylethyl]pyrazolo[3,4-b]quinolin-4-amine?
1,3-dimethyl-N-[(1S)-1-phenylethyl]pyrazolo[3,4-b]quinolin-4-amine has a molecular weight of 316.41 g/mol, XLogP of 4.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-N-[(1S)-1-phenylethyl]pyrazolo[3,4-b]quinolin-4-amine is sourced from PubChem (CID 70088815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).