4-(2,4-dichlorophenyl)-3-methyl-1-phenyl-5,6,7,8-tetrahydropyrazolo[3,4-b]quinoline

C23H19Cl2N3 — CID 139233399

IUPAC4-(2,4-dichlorophenyl)-3-methyl-1-phenyl-5,6,7,8-tetrahydropyrazolo[3,4-b]quinoline
SMILESCc1nn(-c2ccccc2)c2nc3c(c(-c4ccc(Cl)cc4Cl)c12)CCCC3
InChIInChI=1S/C23H19Cl2N3/c1-14-21-22(17-12-11-15(24)13-19(17)25)18-9-5-6-10-20(18)26-23(21)28(27-14)16-7-3-2-4-8-16/h2-4,7-8,11-13H,5-6,9-10H2,1H3
InChIKeyIIFJIUQDDSBESM-UHFFFAOYSA-N
MW408.33 g/mol
LogP6.58
Rot. Bonds2

About 4-(2,4-dichlorophenyl)-3-methyl-1-phenyl-5,6,7,8-tetrahydropyrazolo[3,4-b]quinoline

4-(2,4-dichlorophenyl)-3-methyl-1-phenyl-5,6,7,8-tetrahydropyrazolo[3,4-b]quinoline (PubChem CID 139233399) has the molecular formula C23H19Cl2N3 and a molecular weight of 408.33 g/mol. Its IUPAC name is 4-(2,4-dichlorophenyl)-3-methyl-1-phenyl-5,6,7,8-tetrahydropyrazolo[3,4-b]quinoline.

Molecular Properties

Compound Name4-(2,4-dichlorophenyl)-3-methyl-1-phenyl-5,6,7,8-tetrahydropyrazolo[3,4-b]quinoline
PubChem CID139233399
Molecular FormulaC23H19Cl2N3
Molecular Weight408.33 g/mol
Exact Mass407.10
IUPAC Name4-(2,4-dichlorophenyl)-3-methyl-1-phenyl-5,6,7,8-tetrahydropyrazolo[3,4-b]quinoline
SMILESCc1nn(-c2ccccc2)c2nc3c(c(-c4ccc(Cl)cc4Cl)c12)CCCC3
InChIInChI=1S/C23H19Cl2N3/c1-14-21-22(17-12-11-15(24)13-19(17)25)18-9-5-6-10-20(18)26-23(21)28(27-14)16-7-3-2-4-8-16/h2-4,7-8,11-13H,5-6,9-10H2,1H3
InChIKeyIIFJIUQDDSBESM-UHFFFAOYSA-N
XLogP6.58
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.33
LogP ≤ 56.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2,3-dimethylphenyl)-3-methyl-1-phenyl-5,6,7,8-tetrahydropyrazolo[3,4-b]quinoline
CID 139233396
4-(4-bromophenyl)-3-methyl-1-phenyl-5,6,7,8-tetrahydropyrazolo[3,4-b]quinoline
CID 139233387
3-methyl-4-(4-nitrophenyl)-1-phenyl-5,6,7,8-tetrahydropyrazolo[3,4-b]quinoline
CID 139233397
13-methyl-11-(4-methylphenyl)-15-phenyl-2,14,15,17-tetrazatetracyclo[8.7.0.03,8.012,16]heptadeca-1,3(8),9,11,13,16-hexaen-9-amine
CID 122377736
6-methyl-8-(4-methylphenyl)-4-phenyl-2,4,5,16-tetrazatetracyclo[7.7.0.03,7.011,15]hexadeca-1(16),2,5,7,9,11(15)-hexaen-10-amine
CID 122377737
4-amino-3-methyl-1-phenyl-7,8-dihydro-6H-pyrazolo[3,4-b]quinolin-5-one
CID 127243784
4-(4-chlorophenyl)-3,7,7-trimethyl-1-phenyl-6,8-dihydropyrazolo[3,4-b]quinolin-5-one
CID 53243028
17-(4-bromophenyl)-13-(4-chlorophenyl)-15-methyl-11,13,14-triazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,11,14,16-heptaene
CID 102159407
5-(2,4-dichlorophenyl)-3-methyl-1-phenylpyrazole
CID 139225206
4-chloro-3-methyl-1-phenylpyrazolo[3,4-b]pyridine-6-carbonitrile
CID 126743745
13-(4-chlorophenyl)-17-(4-methoxyphenyl)-15-methyl-11,13,14-triazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,11,14,16-heptaene
CID 102159408
1-(3-chlorophenyl)-3,6-dimethyl-4-phenylpyrazolo[3,4-b]pyridine
CID 17309001

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dichlorophenyl)-3-methyl-1-phenyl-5,6,7,8-tetrahydropyrazolo[3,4-b]quinoline?
The IUPAC name of 4-(2,4-dichlorophenyl)-3-methyl-1-phenyl-5,6,7,8-tetrahydropyrazolo[3,4-b]quinoline (CID 139233399) is 4-(2,4-dichlorophenyl)-3-methyl-1-phenyl-5,6,7,8-tetrahydropyrazolo[3,4-b]quinoline.
What is the SMILES notation for 4-(2,4-dichlorophenyl)-3-methyl-1-phenyl-5,6,7,8-tetrahydropyrazolo[3,4-b]quinoline?
The canonical SMILES for 4-(2,4-dichlorophenyl)-3-methyl-1-phenyl-5,6,7,8-tetrahydropyrazolo[3,4-b]quinoline is Cc1nn(-c2ccccc2)c2nc3c(c(-c4ccc(Cl)cc4Cl)c12)CCCC3.
What is the InChIKey of 4-(2,4-dichlorophenyl)-3-methyl-1-phenyl-5,6,7,8-tetrahydropyrazolo[3,4-b]quinoline?
The InChIKey is IIFJIUQDDSBESM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19Cl2N3/c1-14-21-22(17-12-11-15(24)13-19(17)25)18-9-5-6-10-20(18)26-23(21)28(27-14)16-7-3-2-4-8-16/h2-4,7-8,11-13H,5-6,9-10H2,1H3.
What are the key properties of 4-(2,4-dichlorophenyl)-3-methyl-1-phenyl-5,6,7,8-tetrahydropyrazolo[3,4-b]quinoline?
4-(2,4-dichlorophenyl)-3-methyl-1-phenyl-5,6,7,8-tetrahydropyrazolo[3,4-b]quinoline has a molecular weight of 408.33 g/mol, XLogP of 6.58, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dichlorophenyl)-3-methyl-1-phenyl-5,6,7,8-tetrahydropyrazolo[3,4-b]quinoline is sourced from PubChem (CID 139233399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).