4-chloro-1-methyl-2-propylpyrazolo[3,4-c]quinoline

C14H14ClN3 — CID 11842676

IUPAC4-chloro-1-methyl-2-propylpyrazolo[3,4-c]quinoline
SMILESCCCn1nc2c(Cl)nc3ccccc3c2c1C
InChIInChI=1S/C14H14ClN3/c1-3-8-18-9(2)12-10-6-4-5-7-11(10)16-14(15)13(12)17-18/h4-7H,3,8H2,1-2H3
InChIKeyMYBCEKWBNUGCAB-UHFFFAOYSA-N
MW259.74 g/mol
LogP3.96
Rot. Bonds2

About 4-chloro-1-methyl-2-propylpyrazolo[3,4-c]quinoline

4-chloro-1-methyl-2-propylpyrazolo[3,4-c]quinoline (PubChem CID 11842676) has the molecular formula C14H14ClN3 and a molecular weight of 259.74 g/mol. Its IUPAC name is 4-chloro-1-methyl-2-propylpyrazolo[3,4-c]quinoline.

Molecular Properties

Compound Name4-chloro-1-methyl-2-propylpyrazolo[3,4-c]quinoline
PubChem CID11842676
Molecular FormulaC14H14ClN3
Molecular Weight259.74 g/mol
Exact Mass259.09
IUPAC Name4-chloro-1-methyl-2-propylpyrazolo[3,4-c]quinoline
SMILESCCCn1nc2c(Cl)nc3ccccc3c2c1C
InChIInChI=1S/C14H14ClN3/c1-3-8-18-9(2)12-10-6-4-5-7-11(10)16-14(15)13(12)17-18/h4-7H,3,8H2,1-2H3
InChIKeyMYBCEKWBNUGCAB-UHFFFAOYSA-N
XLogP3.96
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.74
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-methyl-2-propylpyrazolo[3,4-c]quinoline?
The IUPAC name of 4-chloro-1-methyl-2-propylpyrazolo[3,4-c]quinoline (CID 11842676) is 4-chloro-1-methyl-2-propylpyrazolo[3,4-c]quinoline.
What is the SMILES notation for 4-chloro-1-methyl-2-propylpyrazolo[3,4-c]quinoline?
The canonical SMILES for 4-chloro-1-methyl-2-propylpyrazolo[3,4-c]quinoline is CCCn1nc2c(Cl)nc3ccccc3c2c1C.
What is the InChIKey of 4-chloro-1-methyl-2-propylpyrazolo[3,4-c]quinoline?
The InChIKey is MYBCEKWBNUGCAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3/c1-3-8-18-9(2)12-10-6-4-5-7-11(10)16-14(15)13(12)17-18/h4-7H,3,8H2,1-2H3.
What are the key properties of 4-chloro-1-methyl-2-propylpyrazolo[3,4-c]quinoline?
4-chloro-1-methyl-2-propylpyrazolo[3,4-c]quinoline has a molecular weight of 259.74 g/mol, XLogP of 3.96, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-methyl-2-propylpyrazolo[3,4-c]quinoline is sourced from PubChem (CID 11842676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).