3-methyl-1-(4-pyrazol-1-ylphenyl)-8-quinolin-3-yl-2H-imidazo[4,5-c]quinoline

C29H22N6 — CID 141212460

IUPAC3-methyl-1-(4-pyrazol-1-ylphenyl)-8-quinolin-3-yl-2H-imidazo[4,5-c]quinoline
SMILESCN1CN(c2ccc(-n3cccn3)cc2)c2c1cnc1ccc(-c3cnc4ccccc4c3)cc21
InChIInChI=1S/C29H22N6/c1-33-19-34(23-8-10-24(11-9-23)35-14-4-13-32-35)29-25-16-20(7-12-27(25)31-18-28(29)33)22-15-21-5-2-3-6-26(21)30-17-22/h2-18H,19H2,1H3
InChIKeyUNZMTOHRPNHKBM-UHFFFAOYSA-N
MW454.54 g/mol
LogP6.18
Rot. Bonds3

About 3-methyl-1-(4-pyrazol-1-ylphenyl)-8-quinolin-3-yl-2H-imidazo[4,5-c]quinoline

3-methyl-1-(4-pyrazol-1-ylphenyl)-8-quinolin-3-yl-2H-imidazo[4,5-c]quinoline (PubChem CID 141212460) has the molecular formula C29H22N6 and a molecular weight of 454.54 g/mol. Its IUPAC name is 3-methyl-1-(4-pyrazol-1-ylphenyl)-8-quinolin-3-yl-2H-imidazo[4,5-c]quinoline.

Molecular Properties

Compound Name3-methyl-1-(4-pyrazol-1-ylphenyl)-8-quinolin-3-yl-2H-imidazo[4,5-c]quinoline
PubChem CID141212460
Molecular FormulaC29H22N6
Molecular Weight454.54 g/mol
Exact Mass454.19
IUPAC Name3-methyl-1-(4-pyrazol-1-ylphenyl)-8-quinolin-3-yl-2H-imidazo[4,5-c]quinoline
SMILESCN1CN(c2ccc(-n3cccn3)cc2)c2c1cnc1ccc(-c3cnc4ccccc4c3)cc21
InChIInChI=1S/C29H22N6/c1-33-19-34(23-8-10-24(11-9-23)35-14-4-13-32-35)29-25-16-20(7-12-27(25)31-18-28(29)33)22-15-21-5-2-3-6-26(21)30-17-22/h2-18H,19H2,1H3
InChIKeyUNZMTOHRPNHKBM-UHFFFAOYSA-N
XLogP6.18
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.54
LogP ≤ 56.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(6-methoxy-3-pyridinyl)-3-methyl-8-quinolin-7-yl-2H-imidazo[4,5-c]quinoline
CID 141322844
1-(1,3-dimethylpyrazol-4-yl)-3-methyl-8-phenyl-2H-imidazo[4,5-c]quinoline
CID 141290812
1-(3-chloro-4-imidazol-1-ylphenyl)-3-methyl-8-pyridin-3-yl-2H-imidazo[4,5-c]quinoline
CID 141195629
1-(3-chloro-4-piperazin-1-ylphenyl)-3-methyl-8-pyridin-3-yl-2H-imidazo[4,5-c]quinoline
CID 141195639
1-methyl-8-quinolin-3-yl-3H-imidazo[4,5-c]quinolin-2-one
CID 69251341
2-methyl-2-[5-[3-methyl-8-[4-(trifluoromethyl)phenyl]-2H-imidazo[4,5-c]quinolin-1-yl]-2-pyridinyl]propanenitrile
CID 150618707
3-(5,6,7,8-tetrahydronaphthalen-2-yl)quinoline
CID 91488150
2-methyl-2-[4-(4-quinolin-3-yl-8,11,14,16-tetrazatetracyclo[8.6.0.02,7.011,15]hexadeca-1,3,5,7,9,12,14-heptaen-16-yl)phenyl]propanenitrile
CID 140886720
1-[4-(4-ethylpiperazin-1-yl)phenyl]-3-methyl-8-quinolin-3-ylimidazo[4,5-c]quinolin-2-one
CID 66846394
3-[4-(4-fluorophenyl)phenyl]quinoline
CID 171056588
3-(2,3-dihydro-1H-imidazo[4,5-b]pyridin-6-yl)quinoline
CID 123538110
2-[4-[3,6-di(quinolin-3-yl)carbazol-9-yl]phenyl]-1,3-benzoxazole
CID 171851966

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(4-pyrazol-1-ylphenyl)-8-quinolin-3-yl-2H-imidazo[4,5-c]quinoline?
The IUPAC name of 3-methyl-1-(4-pyrazol-1-ylphenyl)-8-quinolin-3-yl-2H-imidazo[4,5-c]quinoline (CID 141212460) is 3-methyl-1-(4-pyrazol-1-ylphenyl)-8-quinolin-3-yl-2H-imidazo[4,5-c]quinoline.
What is the SMILES notation for 3-methyl-1-(4-pyrazol-1-ylphenyl)-8-quinolin-3-yl-2H-imidazo[4,5-c]quinoline?
The canonical SMILES for 3-methyl-1-(4-pyrazol-1-ylphenyl)-8-quinolin-3-yl-2H-imidazo[4,5-c]quinoline is CN1CN(c2ccc(-n3cccn3)cc2)c2c1cnc1ccc(-c3cnc4ccccc4c3)cc21.
What is the InChIKey of 3-methyl-1-(4-pyrazol-1-ylphenyl)-8-quinolin-3-yl-2H-imidazo[4,5-c]quinoline?
The InChIKey is UNZMTOHRPNHKBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H22N6/c1-33-19-34(23-8-10-24(11-9-23)35-14-4-13-32-35)29-25-16-20(7-12-27(25)31-18-28(29)33)22-15-21-5-2-3-6-26(21)30-17-22/h2-18H,19H2,1H3.
What are the key properties of 3-methyl-1-(4-pyrazol-1-ylphenyl)-8-quinolin-3-yl-2H-imidazo[4,5-c]quinoline?
3-methyl-1-(4-pyrazol-1-ylphenyl)-8-quinolin-3-yl-2H-imidazo[4,5-c]quinoline has a molecular weight of 454.54 g/mol, XLogP of 6.18, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(4-pyrazol-1-ylphenyl)-8-quinolin-3-yl-2H-imidazo[4,5-c]quinoline is sourced from PubChem (CID 141212460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).