4-methoxy-3-methyl-1-(3-nitrophenyl)pyrazolo[3,4-b]quinoline

C18H14N4O3 — CID 124925417

IUPAC4-methoxy-3-methyl-1-(3-nitrophenyl)pyrazolo[3,4-b]quinoline
SMILESCOc1c2ccccc2nc2c1c(C)nn2-c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C18H14N4O3/c1-11-16-17(25-2)14-8-3-4-9-15(14)19-18(16)21(20-11)12-6-5-7-13(10-12)22(23)24/h3-10H,1-2H3
InChIKeyADHOBIRHRTYELI-UHFFFAOYSA-N
MW334.34 g/mol
LogP3.80
Rot. Bonds3

About 4-methoxy-3-methyl-1-(3-nitrophenyl)pyrazolo[3,4-b]quinoline

4-methoxy-3-methyl-1-(3-nitrophenyl)pyrazolo[3,4-b]quinoline (PubChem CID 124925417) has the molecular formula C18H14N4O3 and a molecular weight of 334.34 g/mol. Its IUPAC name is 4-methoxy-3-methyl-1-(3-nitrophenyl)pyrazolo[3,4-b]quinoline.

Molecular Properties

Compound Name4-methoxy-3-methyl-1-(3-nitrophenyl)pyrazolo[3,4-b]quinoline
PubChem CID124925417
Molecular FormulaC18H14N4O3
Molecular Weight334.34 g/mol
Exact Mass334.11
IUPAC Name4-methoxy-3-methyl-1-(3-nitrophenyl)pyrazolo[3,4-b]quinoline
SMILESCOc1c2ccccc2nc2c1c(C)nn2-c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C18H14N4O3/c1-11-16-17(25-2)14-8-3-4-9-15(14)19-18(16)21(20-11)12-6-5-7-13(10-12)22(23)24/h3-10H,1-2H3
InChIKeyADHOBIRHRTYELI-UHFFFAOYSA-N
XLogP3.80
TPSA83.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.34
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

6-methyl-4-(3-nitrophenyl)pyrazolo[3,4-c][1,2,5]oxadiazole
CID 11086031
6,11,13-trimethyl-8-(3-nitrophenyl)-4-phenyl-2,4,5,11,13-pentazatricyclo[7.4.0.03,7]trideca-1(9),2,5,7-tetraene-10,12-dione
CID 102516933
(2-hydroxyphenyl)-[3-methyl-1-(3-nitrophenyl)pyrazolo[5,4-b]pyridin-5-yl]methanone
CID 139223049
3-methyl-1-(3-nitrophenyl)-4,5,6,7-tetrahydroindazol-4-amine
CID 82592611
6,11-dimethyl-8-(3-nitrophenyl)-4-phenyl-2,4,5,11,13-pentazatricyclo[7.4.0.03,7]trideca-1(9),2,5,7-tetraene-10,12-dione
CID 135859945
3-(3-nitrophenyl)imidazo[4,5-b]quinoxaline
CID 10356922
5-methyl-2-(3-nitrophenyl)-1,2,4-triazol-3-amine
CID 62679220
5-chloro-4-ethyl-3-methyl-1-(3-nitrophenyl)pyrazole
CID 66020540
8-methoxy-3-(4-methylphenyl)-1-(3-nitrophenyl)pyrazolo[4,3-c]quinoline
CID 46251420
3,6-dimethyl-N-[(E)-(3-nitrophenyl)methylideneamino]-4-oxo-1-phenylpyrazolo[5,4-d]pyrimidine-5-carboxamide
CID 172994565
(2-hydroxy-5-methylphenyl)-[3-methyl-1-(3-nitrophenyl)pyrazolo[5,4-b]pyridin-5-yl]methanone
CID 139223051
8-methoxy-3-(3-methoxyphenyl)-1-(3-nitrophenyl)pyrazolo[4,3-c]quinoline
CID 46251447

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-methyl-1-(3-nitrophenyl)pyrazolo[3,4-b]quinoline?
The IUPAC name of 4-methoxy-3-methyl-1-(3-nitrophenyl)pyrazolo[3,4-b]quinoline (CID 124925417) is 4-methoxy-3-methyl-1-(3-nitrophenyl)pyrazolo[3,4-b]quinoline.
What is the SMILES notation for 4-methoxy-3-methyl-1-(3-nitrophenyl)pyrazolo[3,4-b]quinoline?
The canonical SMILES for 4-methoxy-3-methyl-1-(3-nitrophenyl)pyrazolo[3,4-b]quinoline is COc1c2ccccc2nc2c1c(C)nn2-c1cccc([N+](=O)[O-])c1.
What is the InChIKey of 4-methoxy-3-methyl-1-(3-nitrophenyl)pyrazolo[3,4-b]quinoline?
The InChIKey is ADHOBIRHRTYELI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4O3/c1-11-16-17(25-2)14-8-3-4-9-15(14)19-18(16)21(20-11)12-6-5-7-13(10-12)22(23)24/h3-10H,1-2H3.
What are the key properties of 4-methoxy-3-methyl-1-(3-nitrophenyl)pyrazolo[3,4-b]quinoline?
4-methoxy-3-methyl-1-(3-nitrophenyl)pyrazolo[3,4-b]quinoline has a molecular weight of 334.34 g/mol, XLogP of 3.80, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-methyl-1-(3-nitrophenyl)pyrazolo[3,4-b]quinoline is sourced from PubChem (CID 124925417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).