1-(1,3-dimethylpyrazol-4-yl)-3-methyl-8-phenyl-2H-imidazo[4,5-c]quinoline

C22H21N5 — CID 141290812

IUPAC1-(1,3-dimethylpyrazol-4-yl)-3-methyl-8-phenyl-2H-imidazo[4,5-c]quinoline
SMILESCc1nn(C)cc1N1CN(C)c2cnc3ccc(-c4ccccc4)cc3c21
InChIInChI=1S/C22H21N5/c1-15-21(13-26(3)24-15)27-14-25(2)20-12-23-19-10-9-17(11-18(19)22(20)27)16-7-5-4-6-8-16/h4-13H,14H2,1-3H3
InChIKeyMKLYKPSMIKEPPV-UHFFFAOYSA-N
MW355.45 g/mol
LogP4.49
Rot. Bonds2

About 1-(1,3-dimethylpyrazol-4-yl)-3-methyl-8-phenyl-2H-imidazo[4,5-c]quinoline

1-(1,3-dimethylpyrazol-4-yl)-3-methyl-8-phenyl-2H-imidazo[4,5-c]quinoline (PubChem CID 141290812) has the molecular formula C22H21N5 and a molecular weight of 355.45 g/mol. Its IUPAC name is 1-(1,3-dimethylpyrazol-4-yl)-3-methyl-8-phenyl-2H-imidazo[4,5-c]quinoline.

Molecular Properties

Compound Name1-(1,3-dimethylpyrazol-4-yl)-3-methyl-8-phenyl-2H-imidazo[4,5-c]quinoline
PubChem CID141290812
Molecular FormulaC22H21N5
Molecular Weight355.45 g/mol
Exact Mass355.18
IUPAC Name1-(1,3-dimethylpyrazol-4-yl)-3-methyl-8-phenyl-2H-imidazo[4,5-c]quinoline
SMILESCc1nn(C)cc1N1CN(C)c2cnc3ccc(-c4ccccc4)cc3c21
InChIInChI=1S/C22H21N5/c1-15-21(13-26(3)24-15)27-14-25(2)20-12-23-19-10-9-17(11-18(19)22(20)27)16-7-5-4-6-8-16/h4-13H,14H2,1-3H3
InChIKeyMKLYKPSMIKEPPV-UHFFFAOYSA-N
XLogP4.49
TPSA37.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.45
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-2-[5-[3-methyl-8-[4-(trifluoromethyl)phenyl]-2H-imidazo[4,5-c]quinolin-1-yl]-2-pyridinyl]propanenitrile
CID 150618707
3-methyl-1-(4-pyrazol-1-ylphenyl)-8-quinolin-3-yl-2H-imidazo[4,5-c]quinoline
CID 141212460
1-(6-methoxy-3-pyridinyl)-3-methyl-8-quinolin-7-yl-2H-imidazo[4,5-c]quinoline
CID 141322844
1-(3-chloro-4-piperazin-1-ylphenyl)-3-methyl-8-pyridin-3-yl-2H-imidazo[4,5-c]quinoline
CID 141195639
1-(1,3-dimethylpyrazol-4-yl)-3-methyl-8-[6-methyl-5-(methylamino)-3-pyridinyl]imidazo[4,5-c]quinolin-2-one
CID 59619638
8-[5-(aminomethyl)-3-pyridinyl]-1-(1,3-dimethylpyrazol-4-yl)-3-methylimidazo[4,5-c]quinolin-2-one
CID 59620031
5-[1-(1,3-dimethylpyrazol-4-yl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-8-yl]-2-methoxypyridine-3-carbonitrile
CID 59619935
1-(1,3-dimethylpyrazol-4-yl)-8-[3-hydroxy-5-(trifluoromethyl)phenyl]-3-methylimidazo[4,5-c]quinolin-2-one
CID 59619818
1-(1,3-dimethylpyrazol-4-yl)-8-[6-(2-hydroxyethylamino)-3-pyridinyl]-3-methylimidazo[4,5-c]quinolin-2-one
CID 59619625
1-(1,3-dimethylpyrazol-4-yl)-3-methyl-8-(6-methyl-5-propan-2-yloxy-3-pyridinyl)imidazo[4,5-c]quinolin-2-one
CID 59620037
1-methyl-6-phenylbenzimidazole
CID 135028518
2-methyl-4-phenyl-6-(4-phenylphenyl)quinazoline
CID 161216404

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dimethylpyrazol-4-yl)-3-methyl-8-phenyl-2H-imidazo[4,5-c]quinoline?
The IUPAC name of 1-(1,3-dimethylpyrazol-4-yl)-3-methyl-8-phenyl-2H-imidazo[4,5-c]quinoline (CID 141290812) is 1-(1,3-dimethylpyrazol-4-yl)-3-methyl-8-phenyl-2H-imidazo[4,5-c]quinoline.
What is the SMILES notation for 1-(1,3-dimethylpyrazol-4-yl)-3-methyl-8-phenyl-2H-imidazo[4,5-c]quinoline?
The canonical SMILES for 1-(1,3-dimethylpyrazol-4-yl)-3-methyl-8-phenyl-2H-imidazo[4,5-c]quinoline is Cc1nn(C)cc1N1CN(C)c2cnc3ccc(-c4ccccc4)cc3c21.
What is the InChIKey of 1-(1,3-dimethylpyrazol-4-yl)-3-methyl-8-phenyl-2H-imidazo[4,5-c]quinoline?
The InChIKey is MKLYKPSMIKEPPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5/c1-15-21(13-26(3)24-15)27-14-25(2)20-12-23-19-10-9-17(11-18(19)22(20)27)16-7-5-4-6-8-16/h4-13H,14H2,1-3H3.
What are the key properties of 1-(1,3-dimethylpyrazol-4-yl)-3-methyl-8-phenyl-2H-imidazo[4,5-c]quinoline?
1-(1,3-dimethylpyrazol-4-yl)-3-methyl-8-phenyl-2H-imidazo[4,5-c]quinoline has a molecular weight of 355.45 g/mol, XLogP of 4.49, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dimethylpyrazol-4-yl)-3-methyl-8-phenyl-2H-imidazo[4,5-c]quinoline is sourced from PubChem (CID 141290812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).