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

C24H24N6O2 — CID 59619890

IUPAC1-(1,4-dimethylpyrazol-5-yl)-3-methyl-8-(5-propan-2-yloxy-3-pyridinyl)imidazo[4,5-c]quinolin-2-one
SMILESCc1cnn(C)c1-n1c(=O)n(C)c2cnc3ccc(-c4cncc(OC(C)C)c4)cc3c21
InChIInChI=1S/C24H24N6O2/c1-14(2)32-18-8-17(11-25-12-18)16-6-7-20-19(9-16)22-21(13-26-20)28(4)24(31)30(22)23-15(3)10-27-29(23)5/h6-14H,1-5H3
InChIKeyHOGBXHRFKFJITA-UHFFFAOYSA-N
MW428.50 g/mol
LogP3.77
Rot. Bonds4

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

1-(1,4-dimethylpyrazol-5-yl)-3-methyl-8-(5-propan-2-yloxy-3-pyridinyl)imidazo[4,5-c]quinolin-2-one (PubChem CID 59619890) has the molecular formula C24H24N6O2 and a molecular weight of 428.50 g/mol. Its IUPAC name is 1-(1,4-dimethylpyrazol-5-yl)-3-methyl-8-(5-propan-2-yloxy-3-pyridinyl)imidazo[4,5-c]quinolin-2-one.

Molecular Properties

Compound Name1-(1,4-dimethylpyrazol-5-yl)-3-methyl-8-(5-propan-2-yloxy-3-pyridinyl)imidazo[4,5-c]quinolin-2-one
PubChem CID59619890
Molecular FormulaC24H24N6O2
Molecular Weight428.50 g/mol
Exact Mass428.20
IUPAC Name1-(1,4-dimethylpyrazol-5-yl)-3-methyl-8-(5-propan-2-yloxy-3-pyridinyl)imidazo[4,5-c]quinolin-2-one
SMILESCc1cnn(C)c1-n1c(=O)n(C)c2cnc3ccc(-c4cncc(OC(C)C)c4)cc3c21
InChIInChI=1S/C24H24N6O2/c1-14(2)32-18-8-17(11-25-12-18)16-6-7-20-19(9-16)22-21(13-26-20)28(4)24(31)30(22)23-15(3)10-27-29(23)5/h6-14H,1-5H3
InChIKeyHOGBXHRFKFJITA-UHFFFAOYSA-N
XLogP3.77
TPSA79.76 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.50
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-(1,4-dimethylpyrazol-5-yl)-3-methyl-8-(5-propan-2-yloxy-3-pyridinyl)imidazo[4,5-c]quinolin-2-one?
The IUPAC name of 1-(1,4-dimethylpyrazol-5-yl)-3-methyl-8-(5-propan-2-yloxy-3-pyridinyl)imidazo[4,5-c]quinolin-2-one (CID 59619890) is 1-(1,4-dimethylpyrazol-5-yl)-3-methyl-8-(5-propan-2-yloxy-3-pyridinyl)imidazo[4,5-c]quinolin-2-one.
What is the SMILES notation for 1-(1,4-dimethylpyrazol-5-yl)-3-methyl-8-(5-propan-2-yloxy-3-pyridinyl)imidazo[4,5-c]quinolin-2-one?
The canonical SMILES for 1-(1,4-dimethylpyrazol-5-yl)-3-methyl-8-(5-propan-2-yloxy-3-pyridinyl)imidazo[4,5-c]quinolin-2-one is Cc1cnn(C)c1-n1c(=O)n(C)c2cnc3ccc(-c4cncc(OC(C)C)c4)cc3c21.
What is the InChIKey of 1-(1,4-dimethylpyrazol-5-yl)-3-methyl-8-(5-propan-2-yloxy-3-pyridinyl)imidazo[4,5-c]quinolin-2-one?
The InChIKey is HOGBXHRFKFJITA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N6O2/c1-14(2)32-18-8-17(11-25-12-18)16-6-7-20-19(9-16)22-21(13-26-20)28(4)24(31)30(22)23-15(3)10-27-29(23)5/h6-14H,1-5H3.
What are the key properties of 1-(1,4-dimethylpyrazol-5-yl)-3-methyl-8-(5-propan-2-yloxy-3-pyridinyl)imidazo[4,5-c]quinolin-2-one?
1-(1,4-dimethylpyrazol-5-yl)-3-methyl-8-(5-propan-2-yloxy-3-pyridinyl)imidazo[4,5-c]quinolin-2-one has a molecular weight of 428.50 g/mol, XLogP of 3.77, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4-dimethylpyrazol-5-yl)-3-methyl-8-(5-propan-2-yloxy-3-pyridinyl)imidazo[4,5-c]quinolin-2-one is sourced from PubChem (CID 59619890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).