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

C23H20BrN3 — CID 139233387

IUPAC4-(4-bromophenyl)-3-methyl-1-phenyl-5,6,7,8-tetrahydropyrazolo[3,4-b]quinoline
SMILESCc1nn(-c2ccccc2)c2nc3c(c(-c4ccc(Br)cc4)c12)CCCC3
InChIInChI=1S/C23H20BrN3/c1-15-21-22(16-11-13-17(24)14-12-16)19-9-5-6-10-20(19)25-23(21)27(26-15)18-7-3-2-4-8-18/h2-4,7-8,11-14H,5-6,9-10H2,1H3
InChIKeyYOGAXWDTWPXYBD-UHFFFAOYSA-N
MW418.34 g/mol
LogP6.04
Rot. Bonds2

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

4-(4-bromophenyl)-3-methyl-1-phenyl-5,6,7,8-tetrahydropyrazolo[3,4-b]quinoline (PubChem CID 139233387) has the molecular formula C23H20BrN3 and a molecular weight of 418.34 g/mol. Its IUPAC name is 4-(4-bromophenyl)-3-methyl-1-phenyl-5,6,7,8-tetrahydropyrazolo[3,4-b]quinoline.

Molecular Properties

Compound Name4-(4-bromophenyl)-3-methyl-1-phenyl-5,6,7,8-tetrahydropyrazolo[3,4-b]quinoline
PubChem CID139233387
Molecular FormulaC23H20BrN3
Molecular Weight418.34 g/mol
Exact Mass417.08
IUPAC Name4-(4-bromophenyl)-3-methyl-1-phenyl-5,6,7,8-tetrahydropyrazolo[3,4-b]quinoline
SMILESCc1nn(-c2ccccc2)c2nc3c(c(-c4ccc(Br)cc4)c12)CCCC3
InChIInChI=1S/C23H20BrN3/c1-15-21-22(16-11-13-17(24)14-12-16)19-9-5-6-10-20(19)25-23(21)27(26-15)18-7-3-2-4-8-18/h2-4,7-8,11-14H,5-6,9-10H2,1H3
InChIKeyYOGAXWDTWPXYBD-UHFFFAOYSA-N
XLogP6.04
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.34
LogP ≤ 56.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-4-(4-nitrophenyl)-1-phenyl-5,6,7,8-tetrahydropyrazolo[3,4-b]quinoline
CID 139233397
4-(2,3-dimethylphenyl)-3-methyl-1-phenyl-5,6,7,8-tetrahydropyrazolo[3,4-b]quinoline
CID 139233396
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
4-(2,4-dichlorophenyl)-3-methyl-1-phenyl-5,6,7,8-tetrahydropyrazolo[3,4-b]quinoline
CID 139233399
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
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
8-(4-bromophenyl)-3-methyl-5-phenyl-11-oxa-4,5,7-triazatricyclo[7.4.0.02,6]trideca-1(9),2(6),3,7-tetraene
CID 139221262
19-(4-methoxyphenyl)-14-methyl-16-phenyl-15,16,18-triazatricyclo[10.7.0.013,17]nonadeca-1(12),13(17),14,18-tetraene
CID 53472994
4-amino-3-methyl-1-phenyl-7,8-dihydro-6H-pyrazolo[3,4-b]quinolin-5-one
CID 127243784
12-(4-bromophenyl)-7-methyl-10-phenyl-3-thia-8,10,11-triazatricyclo[7.3.0.02,6]dodeca-1,6,8,11-tetraene
CID 25148312
4-(4-chlorophenyl)-3,7,7-trimethyl-1-phenyl-6,8-dihydropyrazolo[3,4-b]quinolin-5-one
CID 53243028
3-(4-bromophenyl)-1-methyl-5-pentyl-6,7,8,9-tetrahydropyrazolo[5,4-c]isoquinoline
CID 102138472

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenyl)-3-methyl-1-phenyl-5,6,7,8-tetrahydropyrazolo[3,4-b]quinoline?
The IUPAC name of 4-(4-bromophenyl)-3-methyl-1-phenyl-5,6,7,8-tetrahydropyrazolo[3,4-b]quinoline (CID 139233387) is 4-(4-bromophenyl)-3-methyl-1-phenyl-5,6,7,8-tetrahydropyrazolo[3,4-b]quinoline.
What is the SMILES notation for 4-(4-bromophenyl)-3-methyl-1-phenyl-5,6,7,8-tetrahydropyrazolo[3,4-b]quinoline?
The canonical SMILES for 4-(4-bromophenyl)-3-methyl-1-phenyl-5,6,7,8-tetrahydropyrazolo[3,4-b]quinoline is Cc1nn(-c2ccccc2)c2nc3c(c(-c4ccc(Br)cc4)c12)CCCC3.
What is the InChIKey of 4-(4-bromophenyl)-3-methyl-1-phenyl-5,6,7,8-tetrahydropyrazolo[3,4-b]quinoline?
The InChIKey is YOGAXWDTWPXYBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20BrN3/c1-15-21-22(16-11-13-17(24)14-12-16)19-9-5-6-10-20(19)25-23(21)27(26-15)18-7-3-2-4-8-18/h2-4,7-8,11-14H,5-6,9-10H2,1H3.
What are the key properties of 4-(4-bromophenyl)-3-methyl-1-phenyl-5,6,7,8-tetrahydropyrazolo[3,4-b]quinoline?
4-(4-bromophenyl)-3-methyl-1-phenyl-5,6,7,8-tetrahydropyrazolo[3,4-b]quinoline has a molecular weight of 418.34 g/mol, XLogP of 6.04, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenyl)-3-methyl-1-phenyl-5,6,7,8-tetrahydropyrazolo[3,4-b]quinoline is sourced from PubChem (CID 139233387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).