4-chloro-1,3-dimethyl-7-nitropyrazolo[3,4-b]quinoline

C12H9ClN4O2 — CID 124927414

IUPAC4-chloro-1,3-dimethyl-7-nitropyrazolo[3,4-b]quinoline
SMILESCc1nn(C)c2nc3cc([N+](=O)[O-])ccc3c(Cl)c12
InChIInChI=1S/C12H9ClN4O2/c1-6-10-11(13)8-4-3-7(17(18)19)5-9(8)14-12(10)16(2)15-6/h3-5H,1-2H3
InChIKeyQDXZGXNIDWAVGT-UHFFFAOYSA-N
MW276.68 g/mol
LogP2.99
Rot. Bonds1

About 4-chloro-1,3-dimethyl-7-nitropyrazolo[3,4-b]quinoline

4-chloro-1,3-dimethyl-7-nitropyrazolo[3,4-b]quinoline (PubChem CID 124927414) has the molecular formula C12H9ClN4O2 and a molecular weight of 276.68 g/mol. Its IUPAC name is 4-chloro-1,3-dimethyl-7-nitropyrazolo[3,4-b]quinoline.

Molecular Properties

Compound Name4-chloro-1,3-dimethyl-7-nitropyrazolo[3,4-b]quinoline
PubChem CID124927414
Molecular FormulaC12H9ClN4O2
Molecular Weight276.68 g/mol
Exact Mass276.04
IUPAC Name4-chloro-1,3-dimethyl-7-nitropyrazolo[3,4-b]quinoline
SMILESCc1nn(C)c2nc3cc([N+](=O)[O-])ccc3c(Cl)c12
InChIInChI=1S/C12H9ClN4O2/c1-6-10-11(13)8-4-3-7(17(18)19)5-9(8)14-12(10)16(2)15-6/h3-5H,1-2H3
InChIKeyQDXZGXNIDWAVGT-UHFFFAOYSA-N
XLogP2.99
TPSA73.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.68
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-chloro-1,3-dimethyl-7-nitropyrazolo[3,4-b]quinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2-chloro-5-nitrophenyl)methyl]-N,1,3,6-tetramethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 16962912
2,4-dichloro-7-nitroquinazoline
CID 12703362
4-chloro-7-nitro-2-propylquinazoline
CID 106584339
3,6-dinitroacridine-9-carbonitrile
CID 118429042
9-chloro-2-methyl-1,6-dinitro-2,3-dihydroacridine
CID 144939722
9-chloro-5-methoxy-3-nitroacridine
CID 10708528
5-chloro-1,3-dimethyl-4-(4-nitrophenyl)pyrazole
CID 71501870
1,3-dimethyl-N-(2-methyl-5-nitrophenyl)-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 43038283
N,N,2-trimethyl-5-nitroindazol-3-amine
CID 12649206
5-(2-chloro-5-nitrophenoxy)-1,3-dimethylpyrazole-4-carbonitrile
CID 63991369
sodium;3-chloro-6-nitro-2H-indazole;hydride
CID 174516913
9-chloro-4-iodo-2-isocyano-6-nitroacridine
CID 140768426

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1,3-dimethyl-7-nitropyrazolo[3,4-b]quinoline?
The IUPAC name of 4-chloro-1,3-dimethyl-7-nitropyrazolo[3,4-b]quinoline (CID 124927414) is 4-chloro-1,3-dimethyl-7-nitropyrazolo[3,4-b]quinoline.
What is the SMILES notation for 4-chloro-1,3-dimethyl-7-nitropyrazolo[3,4-b]quinoline?
The canonical SMILES for 4-chloro-1,3-dimethyl-7-nitropyrazolo[3,4-b]quinoline is Cc1nn(C)c2nc3cc([N+](=O)[O-])ccc3c(Cl)c12.
What is the InChIKey of 4-chloro-1,3-dimethyl-7-nitropyrazolo[3,4-b]quinoline?
The InChIKey is QDXZGXNIDWAVGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClN4O2/c1-6-10-11(13)8-4-3-7(17(18)19)5-9(8)14-12(10)16(2)15-6/h3-5H,1-2H3.
What are the key properties of 4-chloro-1,3-dimethyl-7-nitropyrazolo[3,4-b]quinoline?
4-chloro-1,3-dimethyl-7-nitropyrazolo[3,4-b]quinoline has a molecular weight of 276.68 g/mol, XLogP of 2.99, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1,3-dimethyl-7-nitropyrazolo[3,4-b]quinoline is sourced from PubChem (CID 124927414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).