1-(1,3-dimethylpyrazol-4-yl)-3-methyl-8-[6-methyl-5-(methylamino)-3-pyridinyl]imidazo[4,5-c]quinolin-2-one

C23H23N7O — CID 59619638

IUPAC1-(1,3-dimethylpyrazol-4-yl)-3-methyl-8-[6-methyl-5-(methylamino)-3-pyridinyl]imidazo[4,5-c]quinolin-2-one
SMILESCNc1cc(-c2ccc3ncc4c(c3c2)n(-c2cn(C)nc2C)c(=O)n4C)cnc1C
InChIInChI=1S/C23H23N7O/c1-13-19(24-3)9-16(10-25-13)15-6-7-18-17(8-15)22-20(11-26-18)29(5)23(31)30(22)21-12-28(4)27-14(21)2/h6-12,24H,1-5H3
InChIKeyDKPLYWZHXGGMEJ-UHFFFAOYSA-N
MW413.49 g/mol
LogP3.33
Rot. Bonds3

About 1-(1,3-dimethylpyrazol-4-yl)-3-methyl-8-[6-methyl-5-(methylamino)-3-pyridinyl]imidazo[4,5-c]quinolin-2-one

1-(1,3-dimethylpyrazol-4-yl)-3-methyl-8-[6-methyl-5-(methylamino)-3-pyridinyl]imidazo[4,5-c]quinolin-2-one (PubChem CID 59619638) has the molecular formula C23H23N7O and a molecular weight of 413.49 g/mol. Its IUPAC name is 1-(1,3-dimethylpyrazol-4-yl)-3-methyl-8-[6-methyl-5-(methylamino)-3-pyridinyl]imidazo[4,5-c]quinolin-2-one.

Molecular Properties

Compound Name1-(1,3-dimethylpyrazol-4-yl)-3-methyl-8-[6-methyl-5-(methylamino)-3-pyridinyl]imidazo[4,5-c]quinolin-2-one
PubChem CID59619638
Molecular FormulaC23H23N7O
Molecular Weight413.49 g/mol
Exact Mass413.20
IUPAC Name1-(1,3-dimethylpyrazol-4-yl)-3-methyl-8-[6-methyl-5-(methylamino)-3-pyridinyl]imidazo[4,5-c]quinolin-2-one
SMILESCNc1cc(-c2ccc3ncc4c(c3c2)n(-c2cn(C)nc2C)c(=O)n4C)cnc1C
InChIInChI=1S/C23H23N7O/c1-13-19(24-3)9-16(10-25-13)15-6-7-18-17(8-15)22-20(11-26-18)29(5)23(31)30(22)21-12-28(4)27-14(21)2/h6-12,24H,1-5H3
InChIKeyDKPLYWZHXGGMEJ-UHFFFAOYSA-N
XLogP3.33
TPSA82.56 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.49
LogP ≤ 53.33
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)-3-methyl-8-[6-methyl-5-(methylamino)-3-pyridinyl]imidazo[4,5-c]quinolin-2-one?
The IUPAC name of 1-(1,3-dimethylpyrazol-4-yl)-3-methyl-8-[6-methyl-5-(methylamino)-3-pyridinyl]imidazo[4,5-c]quinolin-2-one (CID 59619638) is 1-(1,3-dimethylpyrazol-4-yl)-3-methyl-8-[6-methyl-5-(methylamino)-3-pyridinyl]imidazo[4,5-c]quinolin-2-one.
What is the SMILES notation for 1-(1,3-dimethylpyrazol-4-yl)-3-methyl-8-[6-methyl-5-(methylamino)-3-pyridinyl]imidazo[4,5-c]quinolin-2-one?
The canonical SMILES for 1-(1,3-dimethylpyrazol-4-yl)-3-methyl-8-[6-methyl-5-(methylamino)-3-pyridinyl]imidazo[4,5-c]quinolin-2-one is CNc1cc(-c2ccc3ncc4c(c3c2)n(-c2cn(C)nc2C)c(=O)n4C)cnc1C.
What is the InChIKey of 1-(1,3-dimethylpyrazol-4-yl)-3-methyl-8-[6-methyl-5-(methylamino)-3-pyridinyl]imidazo[4,5-c]quinolin-2-one?
The InChIKey is DKPLYWZHXGGMEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N7O/c1-13-19(24-3)9-16(10-25-13)15-6-7-18-17(8-15)22-20(11-26-18)29(5)23(31)30(22)21-12-28(4)27-14(21)2/h6-12,24H,1-5H3.
What are the key properties of 1-(1,3-dimethylpyrazol-4-yl)-3-methyl-8-[6-methyl-5-(methylamino)-3-pyridinyl]imidazo[4,5-c]quinolin-2-one?
1-(1,3-dimethylpyrazol-4-yl)-3-methyl-8-[6-methyl-5-(methylamino)-3-pyridinyl]imidazo[4,5-c]quinolin-2-one has a molecular weight of 413.49 g/mol, XLogP of 3.33, 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)-3-methyl-8-[6-methyl-5-(methylamino)-3-pyridinyl]imidazo[4,5-c]quinolin-2-one is sourced from PubChem (CID 59619638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).