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

C21H18FN7O — CID 59619893

IUPAC8-(5-amino-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)c4)cc3c21
InChIInChI=1S/C21H18FN7O/c1-11-18(10-27(2)26-11)29-19-14-6-12(13-7-15(23)20(22)25-8-13)4-5-16(14)24-9-17(19)28(3)21(29)30/h4-10H,23H2,1-3H3
InChIKeyFKNCRAPPNYNGEJ-UHFFFAOYSA-N
MW403.42 g/mol
LogP2.70
Rot. Bonds2

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

8-(5-amino-6-fluoro-3-pyridinyl)-1-(1,3-dimethylpyrazol-4-yl)-3-methylimidazo[4,5-c]quinolin-2-one (PubChem CID 59619893) has the molecular formula C21H18FN7O and a molecular weight of 403.42 g/mol. Its IUPAC name is 8-(5-amino-6-fluoro-3-pyridinyl)-1-(1,3-dimethylpyrazol-4-yl)-3-methylimidazo[4,5-c]quinolin-2-one.

Molecular Properties

Compound Name8-(5-amino-6-fluoro-3-pyridinyl)-1-(1,3-dimethylpyrazol-4-yl)-3-methylimidazo[4,5-c]quinolin-2-one
PubChem CID59619893
Molecular FormulaC21H18FN7O
Molecular Weight403.42 g/mol
Exact Mass403.16
IUPAC Name8-(5-amino-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)c4)cc3c21
InChIInChI=1S/C21H18FN7O/c1-11-18(10-27(2)26-11)29-19-14-6-12(13-7-15(23)20(22)25-8-13)4-5-16(14)24-9-17(19)28(3)21(29)30/h4-10H,23H2,1-3H3
InChIKeyFKNCRAPPNYNGEJ-UHFFFAOYSA-N
XLogP2.70
TPSA96.55 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.42
LogP ≤ 52.70
H-Bond Donors ≤ 51
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-amino-6-fluoro-3-pyridinyl)-1-(1,3-dimethylpyrazol-4-yl)-3-methylimidazo[4,5-c]quinolin-2-one?
The IUPAC name of 8-(5-amino-6-fluoro-3-pyridinyl)-1-(1,3-dimethylpyrazol-4-yl)-3-methylimidazo[4,5-c]quinolin-2-one (CID 59619893) is 8-(5-amino-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-amino-6-fluoro-3-pyridinyl)-1-(1,3-dimethylpyrazol-4-yl)-3-methylimidazo[4,5-c]quinolin-2-one?
The canonical SMILES for 8-(5-amino-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)c4)cc3c21.
What is the InChIKey of 8-(5-amino-6-fluoro-3-pyridinyl)-1-(1,3-dimethylpyrazol-4-yl)-3-methylimidazo[4,5-c]quinolin-2-one?
The InChIKey is FKNCRAPPNYNGEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN7O/c1-11-18(10-27(2)26-11)29-19-14-6-12(13-7-15(23)20(22)25-8-13)4-5-16(14)24-9-17(19)28(3)21(29)30/h4-10H,23H2,1-3H3.
What are the key properties of 8-(5-amino-6-fluoro-3-pyridinyl)-1-(1,3-dimethylpyrazol-4-yl)-3-methylimidazo[4,5-c]quinolin-2-one?
8-(5-amino-6-fluoro-3-pyridinyl)-1-(1,3-dimethylpyrazol-4-yl)-3-methylimidazo[4,5-c]quinolin-2-one has a molecular weight of 403.42 g/mol, XLogP of 2.70, 2 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(5-amino-6-fluoro-3-pyridinyl)-1-(1,3-dimethylpyrazol-4-yl)-3-methylimidazo[4,5-c]quinolin-2-one is sourced from PubChem (CID 59619893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).