7-bromo-2-butyl-N-[(2,4-dimethoxyphenyl)methyl]pyrazolo[3,4-c]quinolin-4-amine

C23H25BrN4O2 — CID 155128270

IUPAC7-bromo-2-butyl-N-[(2,4-dimethoxyphenyl)methyl]pyrazolo[3,4-c]quinolin-4-amine
SMILESCCCCn1cc2c(n1)c(NCc1ccc(OC)cc1OC)nc1cc(Br)ccc12
InChIInChI=1S/C23H25BrN4O2/c1-4-5-10-28-14-19-18-9-7-16(24)11-20(18)26-23(22(19)27-28)25-13-15-6-8-17(29-2)12-21(15)30-3/h6-9,11-12,14H,4-5,10,13H2,1-3H3,(H,25,26)
InChIKeyDMUFQGYPMLIBJJ-UHFFFAOYSA-N
MW469.38 g/mol
LogP5.78
Rot. Bonds8

About 7-bromo-2-butyl-N-[(2,4-dimethoxyphenyl)methyl]pyrazolo[3,4-c]quinolin-4-amine

7-bromo-2-butyl-N-[(2,4-dimethoxyphenyl)methyl]pyrazolo[3,4-c]quinolin-4-amine (PubChem CID 155128270) has the molecular formula C23H25BrN4O2 and a molecular weight of 469.38 g/mol. Its IUPAC name is 7-bromo-2-butyl-N-[(2,4-dimethoxyphenyl)methyl]pyrazolo[3,4-c]quinolin-4-amine.

Molecular Properties

Compound Name7-bromo-2-butyl-N-[(2,4-dimethoxyphenyl)methyl]pyrazolo[3,4-c]quinolin-4-amine
PubChem CID155128270
Molecular FormulaC23H25BrN4O2
Molecular Weight469.38 g/mol
Exact Mass468.12
IUPAC Name7-bromo-2-butyl-N-[(2,4-dimethoxyphenyl)methyl]pyrazolo[3,4-c]quinolin-4-amine
SMILESCCCCn1cc2c(n1)c(NCc1ccc(OC)cc1OC)nc1cc(Br)ccc12
InChIInChI=1S/C23H25BrN4O2/c1-4-5-10-28-14-19-18-9-7-16(24)11-20(18)26-23(22(19)27-28)25-13-15-6-8-17(29-2)12-21(15)30-3/h6-9,11-12,14H,4-5,10,13H2,1-3H3,(H,25,26)
InChIKeyDMUFQGYPMLIBJJ-UHFFFAOYSA-N
XLogP5.78
TPSA61.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.38
LogP ≤ 55.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-2-butyl-N-[(2,4-dimethoxyphenyl)methyl]pyrazolo[3,4-c]quinolin-4-amine?
The IUPAC name of 7-bromo-2-butyl-N-[(2,4-dimethoxyphenyl)methyl]pyrazolo[3,4-c]quinolin-4-amine (CID 155128270) is 7-bromo-2-butyl-N-[(2,4-dimethoxyphenyl)methyl]pyrazolo[3,4-c]quinolin-4-amine.
What is the SMILES notation for 7-bromo-2-butyl-N-[(2,4-dimethoxyphenyl)methyl]pyrazolo[3,4-c]quinolin-4-amine?
The canonical SMILES for 7-bromo-2-butyl-N-[(2,4-dimethoxyphenyl)methyl]pyrazolo[3,4-c]quinolin-4-amine is CCCCn1cc2c(n1)c(NCc1ccc(OC)cc1OC)nc1cc(Br)ccc12.
What is the InChIKey of 7-bromo-2-butyl-N-[(2,4-dimethoxyphenyl)methyl]pyrazolo[3,4-c]quinolin-4-amine?
The InChIKey is DMUFQGYPMLIBJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25BrN4O2/c1-4-5-10-28-14-19-18-9-7-16(24)11-20(18)26-23(22(19)27-28)25-13-15-6-8-17(29-2)12-21(15)30-3/h6-9,11-12,14H,4-5,10,13H2,1-3H3,(H,25,26).
What are the key properties of 7-bromo-2-butyl-N-[(2,4-dimethoxyphenyl)methyl]pyrazolo[3,4-c]quinolin-4-amine?
7-bromo-2-butyl-N-[(2,4-dimethoxyphenyl)methyl]pyrazolo[3,4-c]quinolin-4-amine has a molecular weight of 469.38 g/mol, XLogP of 5.78, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-2-butyl-N-[(2,4-dimethoxyphenyl)methyl]pyrazolo[3,4-c]quinolin-4-amine is sourced from PubChem (CID 155128270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).