8-methoxy-3-(4-methylphenyl)-1-(3-nitrophenyl)pyrazolo[4,3-c]quinoline

C24H18N4O3 — CID 46251420

IUPAC8-methoxy-3-(4-methylphenyl)-1-(3-nitrophenyl)pyrazolo[4,3-c]quinoline
SMILESCOc1ccc2ncc3c(-c4ccc(C)cc4)nn(-c4cccc([N+](=O)[O-])c4)c3c2c1
InChIInChI=1S/C24H18N4O3/c1-15-6-8-16(9-7-15)23-21-14-25-22-11-10-19(31-2)13-20(22)24(21)27(26-23)17-4-3-5-18(12-17)28(29)30/h3-14H,1-2H3
InChIKeyIVVQEDNWQPUNMU-UHFFFAOYSA-N
MW410.43 g/mol
LogP5.47
Rot. Bonds4

About 8-methoxy-3-(4-methylphenyl)-1-(3-nitrophenyl)pyrazolo[4,3-c]quinoline

8-methoxy-3-(4-methylphenyl)-1-(3-nitrophenyl)pyrazolo[4,3-c]quinoline (PubChem CID 46251420) has the molecular formula C24H18N4O3 and a molecular weight of 410.43 g/mol. Its IUPAC name is 8-methoxy-3-(4-methylphenyl)-1-(3-nitrophenyl)pyrazolo[4,3-c]quinoline.

Molecular Properties

Compound Name8-methoxy-3-(4-methylphenyl)-1-(3-nitrophenyl)pyrazolo[4,3-c]quinoline
PubChem CID46251420
Molecular FormulaC24H18N4O3
Molecular Weight410.43 g/mol
Exact Mass410.14
IUPAC Name8-methoxy-3-(4-methylphenyl)-1-(3-nitrophenyl)pyrazolo[4,3-c]quinoline
SMILESCOc1ccc2ncc3c(-c4ccc(C)cc4)nn(-c4cccc([N+](=O)[O-])c4)c3c2c1
InChIInChI=1S/C24H18N4O3/c1-15-6-8-16(9-7-15)23-21-14-25-22-11-10-19(31-2)13-20(22)24(21)27(26-23)17-4-3-5-18(12-17)28(29)30/h3-14H,1-2H3
InChIKeyIVVQEDNWQPUNMU-UHFFFAOYSA-N
XLogP5.47
TPSA83.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.43
LogP ≤ 55.47
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

8-methoxy-3-(3-methoxyphenyl)-1-(3-nitrophenyl)pyrazolo[4,3-c]quinoline
CID 46251447
3-(3,4-dimethoxyphenyl)-8-methoxy-1-(3-nitrophenyl)pyrazolo[4,3-c]quinoline
CID 46251450
8-methoxy-3-(4-methylphenyl)-1-phenylpyrazolo[4,3-c]quinoline
CID 20852567
7,8-difluoro-3-(4-methylphenyl)-1-(3-nitrophenyl)pyrazolo[4,5-c]quinoline
CID 46251426
ethyl 3-(4-methylphenyl)-1-(3-nitrophenyl)pyrazolo[4,3-c]quinoline-8-carboxylate
CID 46251423
3-(4-methylphenyl)-1-(3-nitrophenyl)-7-(trifluoromethyl)pyrazolo[4,3-c]quinoline
CID 46251422
1-(4-fluorophenyl)-8-methoxy-3-(4-methylphenyl)pyrazolo[4,3-c]quinoline
CID 20852568
8-fluoro-1-(4-methoxyphenyl)-3-(4-methylphenyl)pyrazolo[4,3-c]quinoline
CID 20953354
1-(3-chloro-4-methylphenyl)-8-methoxy-3-phenylpyrazolo[4,3-c]quinoline
CID 20852727
1-(3-chlorophenyl)-3-(4-fluorophenyl)-8-methylpyrazolo[4,3-c]quinoline
CID 20953395
3-(4-bromo-3-chlorophenyl)-8-methoxy-1-phenylpyrazolo[4,3-c]quinoline
CID 171775671
1-(4-chlorophenyl)-3-(4-ethylphenyl)-8-methoxypyrazolo[4,3-c]quinoline
CID 20852791

Frequently Asked Questions

What is the IUPAC name of 8-methoxy-3-(4-methylphenyl)-1-(3-nitrophenyl)pyrazolo[4,3-c]quinoline?
The IUPAC name of 8-methoxy-3-(4-methylphenyl)-1-(3-nitrophenyl)pyrazolo[4,3-c]quinoline (CID 46251420) is 8-methoxy-3-(4-methylphenyl)-1-(3-nitrophenyl)pyrazolo[4,3-c]quinoline.
What is the SMILES notation for 8-methoxy-3-(4-methylphenyl)-1-(3-nitrophenyl)pyrazolo[4,3-c]quinoline?
The canonical SMILES for 8-methoxy-3-(4-methylphenyl)-1-(3-nitrophenyl)pyrazolo[4,3-c]quinoline is COc1ccc2ncc3c(-c4ccc(C)cc4)nn(-c4cccc([N+](=O)[O-])c4)c3c2c1.
What is the InChIKey of 8-methoxy-3-(4-methylphenyl)-1-(3-nitrophenyl)pyrazolo[4,3-c]quinoline?
The InChIKey is IVVQEDNWQPUNMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N4O3/c1-15-6-8-16(9-7-15)23-21-14-25-22-11-10-19(31-2)13-20(22)24(21)27(26-23)17-4-3-5-18(12-17)28(29)30/h3-14H,1-2H3.
What are the key properties of 8-methoxy-3-(4-methylphenyl)-1-(3-nitrophenyl)pyrazolo[4,3-c]quinoline?
8-methoxy-3-(4-methylphenyl)-1-(3-nitrophenyl)pyrazolo[4,3-c]quinoline has a molecular weight of 410.43 g/mol, XLogP of 5.47, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-3-(4-methylphenyl)-1-(3-nitrophenyl)pyrazolo[4,3-c]quinoline is sourced from PubChem (CID 46251420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).