1-(1,3-dimethylpyrazol-4-yl)-7-methoxy-3-methyl-8-(2-methyl-3H-benzimidazol-5-yl)imidazo[4,5-c]quinolin-2-one

C25H23N7O2 — CID 122589401

IUPAC1-(1,3-dimethylpyrazol-4-yl)-7-methoxy-3-methyl-8-(2-methyl-3H-benzimidazol-5-yl)imidazo[4,5-c]quinolin-2-one
SMILESCOc1cc2ncc3c(c2cc1-c1ccc2nc(C)[nH]c2c1)n(-c1cn(C)nc1C)c(=O)n3C
InChIInChI=1S/C25H23N7O2/c1-13-22(12-30(3)29-13)32-24-17-9-16(15-6-7-18-20(8-15)28-14(2)27-18)23(34-5)10-19(17)26-11-21(24)31(4)25(32)33/h6-12H,1-5H3,(H,27,28)
InChIKeyDPDFYHQQULBMQG-UHFFFAOYSA-N
MW453.51 g/mol
LogP3.78
Rot. Bonds3

About 1-(1,3-dimethylpyrazol-4-yl)-7-methoxy-3-methyl-8-(2-methyl-3H-benzimidazol-5-yl)imidazo[4,5-c]quinolin-2-one

1-(1,3-dimethylpyrazol-4-yl)-7-methoxy-3-methyl-8-(2-methyl-3H-benzimidazol-5-yl)imidazo[4,5-c]quinolin-2-one (PubChem CID 122589401) has the molecular formula C25H23N7O2 and a molecular weight of 453.51 g/mol. Its IUPAC name is 1-(1,3-dimethylpyrazol-4-yl)-7-methoxy-3-methyl-8-(2-methyl-3H-benzimidazol-5-yl)imidazo[4,5-c]quinolin-2-one.

Molecular Properties

Compound Name1-(1,3-dimethylpyrazol-4-yl)-7-methoxy-3-methyl-8-(2-methyl-3H-benzimidazol-5-yl)imidazo[4,5-c]quinolin-2-one
PubChem CID122589401
Molecular FormulaC25H23N7O2
Molecular Weight453.51 g/mol
Exact Mass453.19
IUPAC Name1-(1,3-dimethylpyrazol-4-yl)-7-methoxy-3-methyl-8-(2-methyl-3H-benzimidazol-5-yl)imidazo[4,5-c]quinolin-2-one
SMILESCOc1cc2ncc3c(c2cc1-c1ccc2nc(C)[nH]c2c1)n(-c1cn(C)nc1C)c(=O)n3C
InChIInChI=1S/C25H23N7O2/c1-13-22(12-30(3)29-13)32-24-17-9-16(15-6-7-18-20(8-15)28-14(2)27-18)23(34-5)10-19(17)26-11-21(24)31(4)25(32)33/h6-12H,1-5H3,(H,27,28)
InChIKeyDPDFYHQQULBMQG-UHFFFAOYSA-N
XLogP3.78
TPSA95.55 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.51
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dimethylpyrazol-4-yl)-7-methoxy-3-methyl-8-(2-methyl-3H-benzimidazol-5-yl)imidazo[4,5-c]quinolin-2-one?
The IUPAC name of 1-(1,3-dimethylpyrazol-4-yl)-7-methoxy-3-methyl-8-(2-methyl-3H-benzimidazol-5-yl)imidazo[4,5-c]quinolin-2-one (CID 122589401) is 1-(1,3-dimethylpyrazol-4-yl)-7-methoxy-3-methyl-8-(2-methyl-3H-benzimidazol-5-yl)imidazo[4,5-c]quinolin-2-one.
What is the SMILES notation for 1-(1,3-dimethylpyrazol-4-yl)-7-methoxy-3-methyl-8-(2-methyl-3H-benzimidazol-5-yl)imidazo[4,5-c]quinolin-2-one?
The canonical SMILES for 1-(1,3-dimethylpyrazol-4-yl)-7-methoxy-3-methyl-8-(2-methyl-3H-benzimidazol-5-yl)imidazo[4,5-c]quinolin-2-one is COc1cc2ncc3c(c2cc1-c1ccc2nc(C)[nH]c2c1)n(-c1cn(C)nc1C)c(=O)n3C.
What is the InChIKey of 1-(1,3-dimethylpyrazol-4-yl)-7-methoxy-3-methyl-8-(2-methyl-3H-benzimidazol-5-yl)imidazo[4,5-c]quinolin-2-one?
The InChIKey is DPDFYHQQULBMQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N7O2/c1-13-22(12-30(3)29-13)32-24-17-9-16(15-6-7-18-20(8-15)28-14(2)27-18)23(34-5)10-19(17)26-11-21(24)31(4)25(32)33/h6-12H,1-5H3,(H,27,28).
What are the key properties of 1-(1,3-dimethylpyrazol-4-yl)-7-methoxy-3-methyl-8-(2-methyl-3H-benzimidazol-5-yl)imidazo[4,5-c]quinolin-2-one?
1-(1,3-dimethylpyrazol-4-yl)-7-methoxy-3-methyl-8-(2-methyl-3H-benzimidazol-5-yl)imidazo[4,5-c]quinolin-2-one has a molecular weight of 453.51 g/mol, XLogP of 3.78, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dimethylpyrazol-4-yl)-7-methoxy-3-methyl-8-(2-methyl-3H-benzimidazol-5-yl)imidazo[4,5-c]quinolin-2-one is sourced from PubChem (CID 122589401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).