6-methoxy-3,8-dimethyl-4-[(3S)-3-methylpiperazin-1-yl]-2H-pyrazolo[3,4-b]quinoline

C18H23N5O — CID 46238926

IUPAC6-methoxy-3,8-dimethyl-4-[(3S)-3-methylpiperazin-1-yl]-2H-pyrazolo[3,4-b]quinoline
SMILESCOc1cc(C)c2nc3n[nH]c(C)c3c(N3CCN[C@@H](C)C3)c2c1
InChIInChI=1S/C18H23N5O/c1-10-7-13(24-4)8-14-16(10)20-18-15(12(3)21-22-18)17(14)23-6-5-19-11(2)9-23/h7-8,11,19H,5-6,9H2,1-4H3,(H,20,21,22)/t11-/m0/s1
InChIKeyVCXYNCMJNQVUAA-NSHDSACASA-N
MW325.42 g/mol
LogP2.53
Rot. Bonds2

About 6-methoxy-3,8-dimethyl-4-[(3S)-3-methylpiperazin-1-yl]-2H-pyrazolo[3,4-b]quinoline

6-methoxy-3,8-dimethyl-4-[(3S)-3-methylpiperazin-1-yl]-2H-pyrazolo[3,4-b]quinoline (PubChem CID 46238926) has the molecular formula C18H23N5O and a molecular weight of 325.42 g/mol. Its IUPAC name is 6-methoxy-3,8-dimethyl-4-[(3S)-3-methylpiperazin-1-yl]-2H-pyrazolo[3,4-b]quinoline.

Molecular Properties

Compound Name6-methoxy-3,8-dimethyl-4-[(3S)-3-methylpiperazin-1-yl]-2H-pyrazolo[3,4-b]quinoline
PubChem CID46238926
Molecular FormulaC18H23N5O
Molecular Weight325.42 g/mol
Exact Mass325.19
IUPAC Name6-methoxy-3,8-dimethyl-4-[(3S)-3-methylpiperazin-1-yl]-2H-pyrazolo[3,4-b]quinoline
SMILESCOc1cc(C)c2nc3n[nH]c(C)c3c(N3CCN[C@@H](C)C3)c2c1
InChIInChI=1S/C18H23N5O/c1-10-7-13(24-4)8-14-16(10)20-18-15(12(3)21-22-18)17(14)23-6-5-19-11(2)9-23/h7-8,11,19H,5-6,9H2,1-4H3,(H,20,21,22)/t11-/m0/s1
InChIKeyVCXYNCMJNQVUAA-NSHDSACASA-N
XLogP2.53
TPSA66.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.42
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-3,8-dimethyl-4-[(3S)-3-methylpiperazin-1-yl]-2H-pyrazolo[3,4-b]quinoline?
The IUPAC name of 6-methoxy-3,8-dimethyl-4-[(3S)-3-methylpiperazin-1-yl]-2H-pyrazolo[3,4-b]quinoline (CID 46238926) is 6-methoxy-3,8-dimethyl-4-[(3S)-3-methylpiperazin-1-yl]-2H-pyrazolo[3,4-b]quinoline.
What is the SMILES notation for 6-methoxy-3,8-dimethyl-4-[(3S)-3-methylpiperazin-1-yl]-2H-pyrazolo[3,4-b]quinoline?
The canonical SMILES for 6-methoxy-3,8-dimethyl-4-[(3S)-3-methylpiperazin-1-yl]-2H-pyrazolo[3,4-b]quinoline is COc1cc(C)c2nc3n[nH]c(C)c3c(N3CCN[C@@H](C)C3)c2c1.
What is the InChIKey of 6-methoxy-3,8-dimethyl-4-[(3S)-3-methylpiperazin-1-yl]-2H-pyrazolo[3,4-b]quinoline?
The InChIKey is VCXYNCMJNQVUAA-NSHDSACASA-N. The full InChI is InChI=1S/C18H23N5O/c1-10-7-13(24-4)8-14-16(10)20-18-15(12(3)21-22-18)17(14)23-6-5-19-11(2)9-23/h7-8,11,19H,5-6,9H2,1-4H3,(H,20,21,22)/t11-/m0/s1.
What are the key properties of 6-methoxy-3,8-dimethyl-4-[(3S)-3-methylpiperazin-1-yl]-2H-pyrazolo[3,4-b]quinoline?
6-methoxy-3,8-dimethyl-4-[(3S)-3-methylpiperazin-1-yl]-2H-pyrazolo[3,4-b]quinoline has a molecular weight of 325.42 g/mol, XLogP of 2.53, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-3,8-dimethyl-4-[(3S)-3-methylpiperazin-1-yl]-2H-pyrazolo[3,4-b]quinoline is sourced from PubChem (CID 46238926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).