4-N-(4-chlorophenyl)-1-methylpyrazolo[4,5-c]quinoline-3,4-diamine

C17H14ClN5 — CID 146547575

IUPAC4-N-(4-chlorophenyl)-1-methylpyrazolo[4,5-c]quinoline-3,4-diamine
SMILESCn1nc(N)c2c(Nc3ccc(Cl)cc3)nc3ccccc3c21
InChIInChI=1S/C17H14ClN5/c1-23-15-12-4-2-3-5-13(12)21-17(14(15)16(19)22-23)20-11-8-6-10(18)7-9-11/h2-9H,1H3,(H2,19,22)(H,20,21)
InChIKeyRRIBOCVSCZKOQF-UHFFFAOYSA-N
MW323.79 g/mol
LogP4.10
Rot. Bonds2

About 4-N-(4-chlorophenyl)-1-methylpyrazolo[4,5-c]quinoline-3,4-diamine

4-N-(4-chlorophenyl)-1-methylpyrazolo[4,5-c]quinoline-3,4-diamine (PubChem CID 146547575) has the molecular formula C17H14ClN5 and a molecular weight of 323.79 g/mol. Its IUPAC name is 4-N-(4-chlorophenyl)-1-methylpyrazolo[4,5-c]quinoline-3,4-diamine.

Molecular Properties

Compound Name4-N-(4-chlorophenyl)-1-methylpyrazolo[4,5-c]quinoline-3,4-diamine
PubChem CID146547575
Molecular FormulaC17H14ClN5
Molecular Weight323.79 g/mol
Exact Mass323.09
IUPAC Name4-N-(4-chlorophenyl)-1-methylpyrazolo[4,5-c]quinoline-3,4-diamine
SMILESCn1nc(N)c2c(Nc3ccc(Cl)cc3)nc3ccccc3c21
InChIInChI=1S/C17H14ClN5/c1-23-15-12-4-2-3-5-13(12)21-17(14(15)16(19)22-23)20-11-8-6-10(18)7-9-11/h2-9H,1H3,(H2,19,22)(H,20,21)
InChIKeyRRIBOCVSCZKOQF-UHFFFAOYSA-N
XLogP4.10
TPSA68.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.79
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-N-(4-chlorophenyl)-1-methylpyrazolo[4,5-c]quinoline-3,4-diamine?
The IUPAC name of 4-N-(4-chlorophenyl)-1-methylpyrazolo[4,5-c]quinoline-3,4-diamine (CID 146547575) is 4-N-(4-chlorophenyl)-1-methylpyrazolo[4,5-c]quinoline-3,4-diamine.
What is the SMILES notation for 4-N-(4-chlorophenyl)-1-methylpyrazolo[4,5-c]quinoline-3,4-diamine?
The canonical SMILES for 4-N-(4-chlorophenyl)-1-methylpyrazolo[4,5-c]quinoline-3,4-diamine is Cn1nc(N)c2c(Nc3ccc(Cl)cc3)nc3ccccc3c21.
What is the InChIKey of 4-N-(4-chlorophenyl)-1-methylpyrazolo[4,5-c]quinoline-3,4-diamine?
The InChIKey is RRIBOCVSCZKOQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN5/c1-23-15-12-4-2-3-5-13(12)21-17(14(15)16(19)22-23)20-11-8-6-10(18)7-9-11/h2-9H,1H3,(H2,19,22)(H,20,21).
What are the key properties of 4-N-(4-chlorophenyl)-1-methylpyrazolo[4,5-c]quinoline-3,4-diamine?
4-N-(4-chlorophenyl)-1-methylpyrazolo[4,5-c]quinoline-3,4-diamine has a molecular weight of 323.79 g/mol, XLogP of 4.10, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-chlorophenyl)-1-methylpyrazolo[4,5-c]quinoline-3,4-diamine is sourced from PubChem (CID 146547575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).