8-(6-methoxyquinolin-2-yl)-6,10-dimethyl-4,12-diphenyl-2,4,5,11,12-pentazatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8,10-pentaene

C31H24N6O — CID 175366202

IUPAC8-(6-methoxyquinolin-2-yl)-6,10-dimethyl-4,12-diphenyl-2,4,5,11,12-pentazatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8,10-pentaene
SMILESCOc1ccc2nc(-c3c4c(C)nn(-c5ccccc5)c4nc4c3c(C)nn4-c3ccccc3)ccc2c1
InChIInChI=1S/C31H24N6O/c1-19-27-29(26-16-14-21-18-24(38-3)15-17-25(21)32-26)28-20(2)35-37(23-12-8-5-9-13-23)31(28)33-30(27)36(34-19)22-10-6-4-7-11-22/h4-18H,1-3H3
InChIKeyJTCWLWPVTWYEKC-UHFFFAOYSA-N
MW496.57 g/mol
LogP6.60
Rot. Bonds4

About 8-(6-methoxyquinolin-2-yl)-6,10-dimethyl-4,12-diphenyl-2,4,5,11,12-pentazatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8,10-pentaene

8-(6-methoxyquinolin-2-yl)-6,10-dimethyl-4,12-diphenyl-2,4,5,11,12-pentazatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8,10-pentaene (PubChem CID 175366202) has the molecular formula C31H24N6O and a molecular weight of 496.57 g/mol. Its IUPAC name is 8-(6-methoxyquinolin-2-yl)-6,10-dimethyl-4,12-diphenyl-2,4,5,11,12-pentazatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8,10-pentaene.

Molecular Properties

Compound Name8-(6-methoxyquinolin-2-yl)-6,10-dimethyl-4,12-diphenyl-2,4,5,11,12-pentazatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8,10-pentaene
PubChem CID175366202
Molecular FormulaC31H24N6O
Molecular Weight496.57 g/mol
Exact Mass496.20
IUPAC Name8-(6-methoxyquinolin-2-yl)-6,10-dimethyl-4,12-diphenyl-2,4,5,11,12-pentazatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8,10-pentaene
SMILESCOc1ccc2nc(-c3c4c(C)nn(-c5ccccc5)c4nc4c3c(C)nn4-c3ccccc3)ccc2c1
InChIInChI=1S/C31H24N6O/c1-19-27-29(26-16-14-21-18-24(38-3)15-17-25(21)32-26)28-20(2)35-37(23-12-8-5-9-13-23)31(28)33-30(27)36(34-19)22-10-6-4-7-11-22/h4-18H,1-3H3
InChIKeyJTCWLWPVTWYEKC-UHFFFAOYSA-N
XLogP6.60
TPSA70.65 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.57
LogP ≤ 56.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 8-(6-methoxyquinolin-2-yl)-6,10-dimethyl-4,12-diphenyl-2,4,5,11,12-pentazatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8,10-pentaene with MolForge

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Related Compounds

4-[6-[4-(1-Methylethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline
CID 50997747
6-Methoxy-3,8-Dimethyl-4-(Morpholin-4-Ylmethyl)-1h-Pyrazolo[3,4-B]quinoline
CID 44243146
2,4-Dicyclohexyl-6-methoxyquinazoline
CID 23640941
ML347
CID 44577753
N,N-Dimethyl-3-(4-(3-(4-quinolinyl)pyrazolo(1,5-a)pyrimidin-6-yl)phenoxy)-1-propanamine
CID 50997749
4-[6-(4-Methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline
CID 44223357
N-[6-methoxy-1-(2-methylpropyl)-3-pyrazolo[3,4-b]quinolinyl]-3-methylbutanamide
CID 1398674
N-[6-methoxy-1-(2-methylpropyl)pyrazolo[3,4-b]quinolin-3-yl]-2,2-dimethylpropanamide
CID 1409797
N-(6-methoxy-1-propylpyrazolo[3,4-b]quinolin-3-yl)-2-methylpropanamide
CID 1414939
Ker-047
CID 142464264
6-Methoxy-3,8-Dimethyl-4-(Piperazin-1-Yl)-1h-Pyrazolo[3,4-B]quinoline
CID 46239840
5-(3,5-Dimethoxybenzyl)[1,2,4]triazolo[1,5-C]quinazolin-2-Amine
CID 67042932

Frequently Asked Questions

What is the IUPAC name of 8-(6-methoxyquinolin-2-yl)-6,10-dimethyl-4,12-diphenyl-2,4,5,11,12-pentazatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8,10-pentaene?
The IUPAC name of 8-(6-methoxyquinolin-2-yl)-6,10-dimethyl-4,12-diphenyl-2,4,5,11,12-pentazatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8,10-pentaene (CID 175366202) is 8-(6-methoxyquinolin-2-yl)-6,10-dimethyl-4,12-diphenyl-2,4,5,11,12-pentazatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8,10-pentaene.
What is the SMILES notation for 8-(6-methoxyquinolin-2-yl)-6,10-dimethyl-4,12-diphenyl-2,4,5,11,12-pentazatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8,10-pentaene?
The canonical SMILES for 8-(6-methoxyquinolin-2-yl)-6,10-dimethyl-4,12-diphenyl-2,4,5,11,12-pentazatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8,10-pentaene is COc1ccc2nc(-c3c4c(C)nn(-c5ccccc5)c4nc4c3c(C)nn4-c3ccccc3)ccc2c1.
What is the InChIKey of 8-(6-methoxyquinolin-2-yl)-6,10-dimethyl-4,12-diphenyl-2,4,5,11,12-pentazatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8,10-pentaene?
The InChIKey is JTCWLWPVTWYEKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H24N6O/c1-19-27-29(26-16-14-21-18-24(38-3)15-17-25(21)32-26)28-20(2)35-37(23-12-8-5-9-13-23)31(28)33-30(27)36(34-19)22-10-6-4-7-11-22/h4-18H,1-3H3.
What are the key properties of 8-(6-methoxyquinolin-2-yl)-6,10-dimethyl-4,12-diphenyl-2,4,5,11,12-pentazatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8,10-pentaene?
8-(6-methoxyquinolin-2-yl)-6,10-dimethyl-4,12-diphenyl-2,4,5,11,12-pentazatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8,10-pentaene has a molecular weight of 496.57 g/mol, XLogP of 6.60, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(6-methoxyquinolin-2-yl)-6,10-dimethyl-4,12-diphenyl-2,4,5,11,12-pentazatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8,10-pentaene is sourced from PubChem (CID 175366202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).