1-(3-chloro-4-methylphenyl)-8-methoxy-3-phenylpyrazolo[4,3-c]quinoline

C24H18ClN3O — CID 20852727

IUPAC1-(3-chloro-4-methylphenyl)-8-methoxy-3-phenylpyrazolo[4,3-c]quinoline
SMILESCOc1ccc2ncc3c(-c4ccccc4)nn(-c4ccc(C)c(Cl)c4)c3c2c1
InChIInChI=1S/C24H18ClN3O/c1-15-8-9-17(12-21(15)25)28-24-19-13-18(29-2)10-11-22(19)26-14-20(24)23(27-28)16-6-4-3-5-7-16/h3-14H,1-2H3
InChIKeyWQJOFEWPHARPAO-UHFFFAOYSA-N
MW399.88 g/mol
LogP6.21
Rot. Bonds3

About 1-(3-chloro-4-methylphenyl)-8-methoxy-3-phenylpyrazolo[4,3-c]quinoline

1-(3-chloro-4-methylphenyl)-8-methoxy-3-phenylpyrazolo[4,3-c]quinoline (PubChem CID 20852727) has the molecular formula C24H18ClN3O and a molecular weight of 399.88 g/mol. Its IUPAC name is 1-(3-chloro-4-methylphenyl)-8-methoxy-3-phenylpyrazolo[4,3-c]quinoline.

Molecular Properties

Compound Name1-(3-chloro-4-methylphenyl)-8-methoxy-3-phenylpyrazolo[4,3-c]quinoline
PubChem CID20852727
Molecular FormulaC24H18ClN3O
Molecular Weight399.88 g/mol
Exact Mass399.11
IUPAC Name1-(3-chloro-4-methylphenyl)-8-methoxy-3-phenylpyrazolo[4,3-c]quinoline
SMILESCOc1ccc2ncc3c(-c4ccccc4)nn(-c4ccc(C)c(Cl)c4)c3c2c1
InChIInChI=1S/C24H18ClN3O/c1-15-8-9-17(12-21(15)25)28-24-19-13-18(29-2)10-11-22(19)26-14-20(24)23(27-28)16-6-4-3-5-7-16/h3-14H,1-2H3
InChIKeyWQJOFEWPHARPAO-UHFFFAOYSA-N
XLogP6.21
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.88
LogP ≤ 56.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-chloro-4-methylphenyl)-8-methyl-3-phenylpyrazolo[4,3-c]quinoline
CID 20852726
8-methoxy-3-(4-methylphenyl)-1-phenylpyrazolo[4,3-c]quinoline
CID 20852567
8-chloro-1-(3-chloro-4-methylphenyl)-3-(4-methylphenyl)pyrazolo[4,3-c]quinoline
CID 20852730
3-(4-bromo-3-chlorophenyl)-8-methoxy-1-phenylpyrazolo[4,3-c]quinoline
CID 171775671
1-(4-fluorophenyl)-8-methoxy-3-(4-methylphenyl)pyrazolo[4,3-c]quinoline
CID 20852568
1-(4-chlorophenyl)-3-(4-ethylphenyl)-8-methoxypyrazolo[4,3-c]quinoline
CID 20852791
8-methoxy-3-(3-methoxyphenyl)-1-[2-methyl-5-(4-methylpiperazin-1-yl)phenyl]pyrazolo[4,3-c]quinoline
CID 171853891
8-fluoro-1-(4-methoxyphenyl)-3-(4-methylphenyl)pyrazolo[4,3-c]quinoline
CID 20953354
3-(3-chloro-4-methylphenyl)-5-(4-methylphenyl)-12,14-dioxa-3,4,8-triazatetracyclo[7.7.0.02,6.011,15]hexadeca-1(16),2(6),4,7,9,11(15)-hexaene
CID 20953414
8-methoxy-3-(4-methylphenyl)-1-(3-nitrophenyl)pyrazolo[4,3-c]quinoline
CID 46251420
8-fluoro-1-(4-fluorophenyl)-3-(3-methoxyphenyl)pyrazolo[4,3-c]quinoline
CID 20852834
8-methoxy-3-(3-methoxyphenyl)-1-(3-nitrophenyl)pyrazolo[4,3-c]quinoline
CID 46251447

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-methylphenyl)-8-methoxy-3-phenylpyrazolo[4,3-c]quinoline?
The IUPAC name of 1-(3-chloro-4-methylphenyl)-8-methoxy-3-phenylpyrazolo[4,3-c]quinoline (CID 20852727) is 1-(3-chloro-4-methylphenyl)-8-methoxy-3-phenylpyrazolo[4,3-c]quinoline.
What is the SMILES notation for 1-(3-chloro-4-methylphenyl)-8-methoxy-3-phenylpyrazolo[4,3-c]quinoline?
The canonical SMILES for 1-(3-chloro-4-methylphenyl)-8-methoxy-3-phenylpyrazolo[4,3-c]quinoline is COc1ccc2ncc3c(-c4ccccc4)nn(-c4ccc(C)c(Cl)c4)c3c2c1.
What is the InChIKey of 1-(3-chloro-4-methylphenyl)-8-methoxy-3-phenylpyrazolo[4,3-c]quinoline?
The InChIKey is WQJOFEWPHARPAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18ClN3O/c1-15-8-9-17(12-21(15)25)28-24-19-13-18(29-2)10-11-22(19)26-14-20(24)23(27-28)16-6-4-3-5-7-16/h3-14H,1-2H3.
What are the key properties of 1-(3-chloro-4-methylphenyl)-8-methoxy-3-phenylpyrazolo[4,3-c]quinoline?
1-(3-chloro-4-methylphenyl)-8-methoxy-3-phenylpyrazolo[4,3-c]quinoline has a molecular weight of 399.88 g/mol, XLogP of 6.21, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-methylphenyl)-8-methoxy-3-phenylpyrazolo[4,3-c]quinoline is sourced from PubChem (CID 20852727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).