4-(2-chlorophenyl)-6-methyl-1,3-diphenylpyrazolo[3,4-b]quinoline

C29H20ClN3 — CID 102055178

IUPAC4-(2-chlorophenyl)-6-methyl-1,3-diphenylpyrazolo[3,4-b]quinoline
SMILESCc1ccc2nc3c(c(-c4ccccc4)nn3-c3ccccc3)c(-c3ccccc3Cl)c2c1
InChIInChI=1S/C29H20ClN3/c1-19-16-17-25-23(18-19)26(22-14-8-9-15-24(22)30)27-28(20-10-4-2-5-11-20)32-33(29(27)31-25)21-12-6-3-7-13-21/h2-18H,1H3
InChIKeyRQLCWSQQVIABQM-UHFFFAOYSA-N
MW445.95 g/mol
LogP7.87
Rot. Bonds3

About 4-(2-chlorophenyl)-6-methyl-1,3-diphenylpyrazolo[3,4-b]quinoline

4-(2-chlorophenyl)-6-methyl-1,3-diphenylpyrazolo[3,4-b]quinoline (PubChem CID 102055178) has the molecular formula C29H20ClN3 and a molecular weight of 445.95 g/mol. Its IUPAC name is 4-(2-chlorophenyl)-6-methyl-1,3-diphenylpyrazolo[3,4-b]quinoline.

Molecular Properties

Compound Name4-(2-chlorophenyl)-6-methyl-1,3-diphenylpyrazolo[3,4-b]quinoline
PubChem CID102055178
Molecular FormulaC29H20ClN3
Molecular Weight445.95 g/mol
Exact Mass445.13
IUPAC Name4-(2-chlorophenyl)-6-methyl-1,3-diphenylpyrazolo[3,4-b]quinoline
SMILESCc1ccc2nc3c(c(-c4ccccc4)nn3-c3ccccc3)c(-c3ccccc3Cl)c2c1
InChIInChI=1S/C29H20ClN3/c1-19-16-17-25-23(18-19)26(22-14-8-9-15-24(22)30)27-28(20-10-4-2-5-11-20)32-33(29(27)31-25)21-12-6-3-7-13-21/h2-18H,1H3
InChIKeyRQLCWSQQVIABQM-UHFFFAOYSA-N
XLogP7.87
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.95
LogP ≤ 57.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-4,6-dimethyl-1,3-diphenylpyrazolo[3,4-b]pyridine
CID 1480891
14-(2-chlorophenyl)-8-ethyl-16-(2-methylphenyl)-12-phenyl-8,10,12,13-tetrazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),2,4,6,9,11(15),13-heptaene
CID 177455143
13-[(1,3,4-triphenylpyrazolo[3,4-b]quinolin-6-yl)methyl]-1,4,7,10-tetraoxa-13-azacyclopentadecane
CID 90756534
1-(3-chloro-4-methylphenyl)-8-methyl-3-phenylpyrazolo[4,3-c]quinoline
CID 20852726
8-methyl-2,4-diphenylpyrrolo[3,4-c]quinoline-1,3-dione
CID 71819080
2-methyl-6-phenyl-7H-indeno[2,1-c]quinoline
CID 12624418
18,18'-dimethyl-16,16',20,20'-tetraphenyl-10,10'-spirobi[14,16,17-triazapentacyclo[11.7.0.03,11.04,9.015,19]icosa-1,3(11),4,6,8,12,14,17,19-nonaene]
CID 164681043
3,7-dimethyl-1-phenylpyrazolo[4,3-b]quinoxaline
CID 15882579
5-(2,3-dichlorophenyl)-7,8-dimethoxy-1-methyl-3-phenylpyrazolo[5,4-c]isoquinoline
CID 2263257
N-benzyl-4-(4-chlorophenyl)-6-methyl-1,3-diphenylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 101462732
5-methyl-2-(4-methylphenyl)-3-phenylindazole
CID 177414447
5-naphthalen-1-yl-10,12-diphenyl-3,4,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
CID 25136493

Frequently Asked Questions

What is the IUPAC name of 4-(2-chlorophenyl)-6-methyl-1,3-diphenylpyrazolo[3,4-b]quinoline?
The IUPAC name of 4-(2-chlorophenyl)-6-methyl-1,3-diphenylpyrazolo[3,4-b]quinoline (CID 102055178) is 4-(2-chlorophenyl)-6-methyl-1,3-diphenylpyrazolo[3,4-b]quinoline.
What is the SMILES notation for 4-(2-chlorophenyl)-6-methyl-1,3-diphenylpyrazolo[3,4-b]quinoline?
The canonical SMILES for 4-(2-chlorophenyl)-6-methyl-1,3-diphenylpyrazolo[3,4-b]quinoline is Cc1ccc2nc3c(c(-c4ccccc4)nn3-c3ccccc3)c(-c3ccccc3Cl)c2c1.
What is the InChIKey of 4-(2-chlorophenyl)-6-methyl-1,3-diphenylpyrazolo[3,4-b]quinoline?
The InChIKey is RQLCWSQQVIABQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H20ClN3/c1-19-16-17-25-23(18-19)26(22-14-8-9-15-24(22)30)27-28(20-10-4-2-5-11-20)32-33(29(27)31-25)21-12-6-3-7-13-21/h2-18H,1H3.
What are the key properties of 4-(2-chlorophenyl)-6-methyl-1,3-diphenylpyrazolo[3,4-b]quinoline?
4-(2-chlorophenyl)-6-methyl-1,3-diphenylpyrazolo[3,4-b]quinoline has a molecular weight of 445.95 g/mol, XLogP of 7.87, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chlorophenyl)-6-methyl-1,3-diphenylpyrazolo[3,4-b]quinoline is sourced from PubChem (CID 102055178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).