8-[5-(dimethylamino)-6-fluoro-3-pyridinyl]-1-(1,3-dimethylpyrazol-4-yl)-3-methylimidazo[4,5-c]quinolin-2-one

C23H22FN7O — CID 59620004

IUPAC8-[5-(dimethylamino)-6-fluoro-3-pyridinyl]-1-(1,3-dimethylpyrazol-4-yl)-3-methylimidazo[4,5-c]quinolin-2-one
SMILESCc1nn(C)cc1-n1c(=O)n(C)c2cnc3ccc(-c4cnc(F)c(N(C)C)c4)cc3c21
InChIInChI=1S/C23H22FN7O/c1-13-20(12-29(4)27-13)31-21-16-8-14(15-9-18(28(2)3)22(24)26-10-15)6-7-17(16)25-11-19(21)30(5)23(31)32/h6-12H,1-5H3
InChIKeyLLEZSVCWXAWYSI-UHFFFAOYSA-N
MW431.48 g/mol
LogP3.19
Rot. Bonds3

About 8-[5-(dimethylamino)-6-fluoro-3-pyridinyl]-1-(1,3-dimethylpyrazol-4-yl)-3-methylimidazo[4,5-c]quinolin-2-one

8-[5-(dimethylamino)-6-fluoro-3-pyridinyl]-1-(1,3-dimethylpyrazol-4-yl)-3-methylimidazo[4,5-c]quinolin-2-one (PubChem CID 59620004) has the molecular formula C23H22FN7O and a molecular weight of 431.48 g/mol. Its IUPAC name is 8-[5-(dimethylamino)-6-fluoro-3-pyridinyl]-1-(1,3-dimethylpyrazol-4-yl)-3-methylimidazo[4,5-c]quinolin-2-one.

Molecular Properties

Compound Name8-[5-(dimethylamino)-6-fluoro-3-pyridinyl]-1-(1,3-dimethylpyrazol-4-yl)-3-methylimidazo[4,5-c]quinolin-2-one
PubChem CID59620004
Molecular FormulaC23H22FN7O
Molecular Weight431.48 g/mol
Exact Mass431.19
IUPAC Name8-[5-(dimethylamino)-6-fluoro-3-pyridinyl]-1-(1,3-dimethylpyrazol-4-yl)-3-methylimidazo[4,5-c]quinolin-2-one
SMILESCc1nn(C)cc1-n1c(=O)n(C)c2cnc3ccc(-c4cnc(F)c(N(C)C)c4)cc3c21
InChIInChI=1S/C23H22FN7O/c1-13-20(12-29(4)27-13)31-21-16-8-14(15-9-18(28(2)3)22(24)26-10-15)6-7-17(16)25-11-19(21)30(5)23(31)32/h6-12H,1-5H3
InChIKeyLLEZSVCWXAWYSI-UHFFFAOYSA-N
XLogP3.19
TPSA73.77 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.48
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-[5-(dimethylamino)-6-fluoro-3-pyridinyl]-1-(1,3-dimethylpyrazol-4-yl)-3-methylimidazo[4,5-c]quinolin-2-one?
The IUPAC name of 8-[5-(dimethylamino)-6-fluoro-3-pyridinyl]-1-(1,3-dimethylpyrazol-4-yl)-3-methylimidazo[4,5-c]quinolin-2-one (CID 59620004) is 8-[5-(dimethylamino)-6-fluoro-3-pyridinyl]-1-(1,3-dimethylpyrazol-4-yl)-3-methylimidazo[4,5-c]quinolin-2-one.
What is the SMILES notation for 8-[5-(dimethylamino)-6-fluoro-3-pyridinyl]-1-(1,3-dimethylpyrazol-4-yl)-3-methylimidazo[4,5-c]quinolin-2-one?
The canonical SMILES for 8-[5-(dimethylamino)-6-fluoro-3-pyridinyl]-1-(1,3-dimethylpyrazol-4-yl)-3-methylimidazo[4,5-c]quinolin-2-one is Cc1nn(C)cc1-n1c(=O)n(C)c2cnc3ccc(-c4cnc(F)c(N(C)C)c4)cc3c21.
What is the InChIKey of 8-[5-(dimethylamino)-6-fluoro-3-pyridinyl]-1-(1,3-dimethylpyrazol-4-yl)-3-methylimidazo[4,5-c]quinolin-2-one?
The InChIKey is LLEZSVCWXAWYSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN7O/c1-13-20(12-29(4)27-13)31-21-16-8-14(15-9-18(28(2)3)22(24)26-10-15)6-7-17(16)25-11-19(21)30(5)23(31)32/h6-12H,1-5H3.
What are the key properties of 8-[5-(dimethylamino)-6-fluoro-3-pyridinyl]-1-(1,3-dimethylpyrazol-4-yl)-3-methylimidazo[4,5-c]quinolin-2-one?
8-[5-(dimethylamino)-6-fluoro-3-pyridinyl]-1-(1,3-dimethylpyrazol-4-yl)-3-methylimidazo[4,5-c]quinolin-2-one has a molecular weight of 431.48 g/mol, XLogP of 3.19, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[5-(dimethylamino)-6-fluoro-3-pyridinyl]-1-(1,3-dimethylpyrazol-4-yl)-3-methylimidazo[4,5-c]quinolin-2-one is sourced from PubChem (CID 59620004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).