3-(4-fluorophenyl)-7,8-dimethoxy-5-[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]quinoline

C26H22FN3O3 — CID 2136935

IUPAC3-(4-fluorophenyl)-7,8-dimethoxy-5-[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]quinoline
SMILESCOc1ccc(Cn2cc3c(-c4ccc(F)cc4)nnc-3c3cc(OC)c(OC)cc32)cc1
InChIInChI=1S/C26H22FN3O3/c1-31-19-10-4-16(5-11-19)14-30-15-21-25(17-6-8-18(27)9-7-17)28-29-26(21)20-12-23(32-2)24(33-3)13-22(20)30/h4-13,15H,14H2,1-3H3
InChIKeyVPTOLNYVANDUEP-UHFFFAOYSA-N
MW443.48 g/mol
LogP5.42
Rot. Bonds6

About 3-(4-fluorophenyl)-7,8-dimethoxy-5-[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]quinoline

3-(4-fluorophenyl)-7,8-dimethoxy-5-[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]quinoline (PubChem CID 2136935) has the molecular formula C26H22FN3O3 and a molecular weight of 443.48 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-7,8-dimethoxy-5-[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]quinoline.

Molecular Properties

Compound Name3-(4-fluorophenyl)-7,8-dimethoxy-5-[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]quinoline
PubChem CID2136935
Molecular FormulaC26H22FN3O3
Molecular Weight443.48 g/mol
Exact Mass443.16
IUPAC Name3-(4-fluorophenyl)-7,8-dimethoxy-5-[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]quinoline
SMILESCOc1ccc(Cn2cc3c(-c4ccc(F)cc4)nnc-3c3cc(OC)c(OC)cc32)cc1
InChIInChI=1S/C26H22FN3O3/c1-31-19-10-4-16(5-11-19)14-30-15-21-25(17-6-8-18(27)9-7-17)28-29-26(21)20-12-23(32-2)24(33-3)13-22(20)30/h4-13,15H,14H2,1-3H3
InChIKeyVPTOLNYVANDUEP-UHFFFAOYSA-N
XLogP5.42
TPSA58.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.48
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[(3,4-Dimethoxyphenyl)amino]-6,7-dimethoxyquinoline-3-carbonitrile
CID 5328843
4-[(3-Fluorophenyl)amino]-6,7-dimethoxyquinoline-3-carbonitrile
CID 5328844
4-[(4-Fluorophenyl)amino]-6,7-dimethoxyquinoline-3-carbonitrile
CID 5328846
4-{[3-(Dimethylamino)phenyl]amino}-6,7-dimethoxyquinoline-3-carbonitrile
CID 5328849
6,7-Dimethoxy-4-[(4-methylphenyl)amino]quinoline-3-carbonitrile
CID 5328854
6,7-Dimethoxy-3-(4-methoxy-phenyl)-quinoline
CID 9882618
3-(3-Fluoro-phenyl)-6,7-dimethoxy-quinoline
CID 9971060
3-(1H-indol-3-yl)-6,7-dimethoxy-quinoline
CID 9972296
6,7-Dimethoxy-3-((E)-styryl)-quinoline
CID 10017166
3-(4-Fluoro-phenyl)-6,7-dimethoxy-quinoline
CID 10039460
3-(2-Cyclohexyl-ethyl)-6,7-dimethoxy-quinoline
CID 10040402
6,7-Dimethoxy-3-pyridin-4-yl-quinoline
CID 10061448

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-7,8-dimethoxy-5-[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]quinoline?
The IUPAC name of 3-(4-fluorophenyl)-7,8-dimethoxy-5-[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]quinoline (CID 2136935) is 3-(4-fluorophenyl)-7,8-dimethoxy-5-[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]quinoline.
What is the SMILES notation for 3-(4-fluorophenyl)-7,8-dimethoxy-5-[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]quinoline?
The canonical SMILES for 3-(4-fluorophenyl)-7,8-dimethoxy-5-[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]quinoline is COc1ccc(Cn2cc3c(-c4ccc(F)cc4)nnc-3c3cc(OC)c(OC)cc32)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-7,8-dimethoxy-5-[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]quinoline?
The InChIKey is VPTOLNYVANDUEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22FN3O3/c1-31-19-10-4-16(5-11-19)14-30-15-21-25(17-6-8-18(27)9-7-17)28-29-26(21)20-12-23(32-2)24(33-3)13-22(20)30/h4-13,15H,14H2,1-3H3.
What are the key properties of 3-(4-fluorophenyl)-7,8-dimethoxy-5-[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]quinoline?
3-(4-fluorophenyl)-7,8-dimethoxy-5-[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]quinoline has a molecular weight of 443.48 g/mol, XLogP of 5.42, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-7,8-dimethoxy-5-[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]quinoline is sourced from PubChem (CID 2136935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).