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

C25H25N3 — CID 139233396

IUPAC4-(2,3-dimethylphenyl)-3-methyl-1-phenyl-5,6,7,8-tetrahydropyrazolo[3,4-b]quinoline
SMILESCc1cccc(-c2c3c(nc4c2c(C)nn4-c2ccccc2)CCCC3)c1C
InChIInChI=1S/C25H25N3/c1-16-10-9-14-20(17(16)2)24-21-13-7-8-15-22(21)26-25-23(24)18(3)27-28(25)19-11-5-4-6-12-19/h4-6,9-12,14H,7-8,13,15H2,1-3H3
InChIKeyIWRGNUUTNPPVGJ-UHFFFAOYSA-N
MW367.50 g/mol
LogP5.89
Rot. Bonds2

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

4-(2,3-dimethylphenyl)-3-methyl-1-phenyl-5,6,7,8-tetrahydropyrazolo[3,4-b]quinoline (PubChem CID 139233396) has the molecular formula C25H25N3 and a molecular weight of 367.50 g/mol. Its IUPAC name is 4-(2,3-dimethylphenyl)-3-methyl-1-phenyl-5,6,7,8-tetrahydropyrazolo[3,4-b]quinoline.

Molecular Properties

Compound Name4-(2,3-dimethylphenyl)-3-methyl-1-phenyl-5,6,7,8-tetrahydropyrazolo[3,4-b]quinoline
PubChem CID139233396
Molecular FormulaC25H25N3
Molecular Weight367.50 g/mol
Exact Mass367.20
IUPAC Name4-(2,3-dimethylphenyl)-3-methyl-1-phenyl-5,6,7,8-tetrahydropyrazolo[3,4-b]quinoline
SMILESCc1cccc(-c2c3c(nc4c2c(C)nn4-c2ccccc2)CCCC3)c1C
InChIInChI=1S/C25H25N3/c1-16-10-9-14-20(17(16)2)24-21-13-7-8-15-22(21)26-25-23(24)18(3)27-28(25)19-11-5-4-6-12-19/h4-6,9-12,14H,7-8,13,15H2,1-3H3
InChIKeyIWRGNUUTNPPVGJ-UHFFFAOYSA-N
XLogP5.89
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.50
LogP ≤ 55.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2,4-dichlorophenyl)-3-methyl-1-phenyl-5,6,7,8-tetrahydropyrazolo[3,4-b]quinoline
CID 139233399
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
3,9,10-trimethyl-5-phenyl-4,5,7-triazapentacyclo[10.6.1.02,6.08,19.013,18]nonadeca-1,3,6,8,10,12(19),13,15,17-nonaene
CID 102196244
1-methyl-5-pentyl-3-phenyl-6,7,8,9-tetrahydropyrazolo[5,4-c]isoquinoline
CID 102138469
6,10-dimethyl-4,12-diphenyl-8-pyridin-2-yl-2,4,5,11,12-pentazatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8,10-pentaene
CID 11165952
N-[2-(6,10-dimethyl-4,12-diphenyl-2,4,5,11,12-pentazatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8,10-pentaen-8-yl)phenyl]-N-phenylnaphthalen-1-amine
CID 131737534
3-methyl-5-phenyl-8-thiophen-2-yl-4,5,7-triazatricyclo[7.5.0.02,6]tetradeca-1(9),2(6),3,7-tetraene
CID 53472904
6-methyl-8-[3-(6-methyl-10-oxo-4-phenyl-11-oxa-2,4,5-triazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraen-8-yl)phenyl]-4-phenyl-11-oxa-2,4,5-triazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraen-10-one
CID 16751577

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dimethylphenyl)-3-methyl-1-phenyl-5,6,7,8-tetrahydropyrazolo[3,4-b]quinoline?
The IUPAC name of 4-(2,3-dimethylphenyl)-3-methyl-1-phenyl-5,6,7,8-tetrahydropyrazolo[3,4-b]quinoline (CID 139233396) is 4-(2,3-dimethylphenyl)-3-methyl-1-phenyl-5,6,7,8-tetrahydropyrazolo[3,4-b]quinoline.
What is the SMILES notation for 4-(2,3-dimethylphenyl)-3-methyl-1-phenyl-5,6,7,8-tetrahydropyrazolo[3,4-b]quinoline?
The canonical SMILES for 4-(2,3-dimethylphenyl)-3-methyl-1-phenyl-5,6,7,8-tetrahydropyrazolo[3,4-b]quinoline is Cc1cccc(-c2c3c(nc4c2c(C)nn4-c2ccccc2)CCCC3)c1C.
What is the InChIKey of 4-(2,3-dimethylphenyl)-3-methyl-1-phenyl-5,6,7,8-tetrahydropyrazolo[3,4-b]quinoline?
The InChIKey is IWRGNUUTNPPVGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3/c1-16-10-9-14-20(17(16)2)24-21-13-7-8-15-22(21)26-25-23(24)18(3)27-28(25)19-11-5-4-6-12-19/h4-6,9-12,14H,7-8,13,15H2,1-3H3.
What are the key properties of 4-(2,3-dimethylphenyl)-3-methyl-1-phenyl-5,6,7,8-tetrahydropyrazolo[3,4-b]quinoline?
4-(2,3-dimethylphenyl)-3-methyl-1-phenyl-5,6,7,8-tetrahydropyrazolo[3,4-b]quinoline has a molecular weight of 367.50 g/mol, XLogP of 5.89, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dimethylphenyl)-3-methyl-1-phenyl-5,6,7,8-tetrahydropyrazolo[3,4-b]quinoline is sourced from PubChem (CID 139233396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).