8-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-7-fluoro-3-methyl-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one

C23H27FN6O2 — CID 138490673

IUPAC8-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-7-fluoro-3-methyl-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one
SMILESCC(C)n1c(=O)n(C)c2nnc3cc(F)c(-c4ccc(OCCCN(C)C)nc4)cc3c21
InChIInChI=1S/C23H27FN6O2/c1-14(2)30-21-17-11-16(15-7-8-20(25-13-15)32-10-6-9-28(3)4)18(24)12-19(17)26-27-22(21)29(5)23(30)31/h7-8,11-14H,6,9-10H2,1-5H3
InChIKeyHVWMSPQYCHJIEG-UHFFFAOYSA-N
MW438.51 g/mol
LogP3.40
Rot. Bonds7

About 8-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-7-fluoro-3-methyl-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one

8-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-7-fluoro-3-methyl-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one (PubChem CID 138490673) has the molecular formula C23H27FN6O2 and a molecular weight of 438.51 g/mol. Its IUPAC name is 8-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-7-fluoro-3-methyl-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one.

Molecular Properties

Compound Name8-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-7-fluoro-3-methyl-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one
PubChem CID138490673
Molecular FormulaC23H27FN6O2
Molecular Weight438.51 g/mol
Exact Mass438.22
IUPAC Name8-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-7-fluoro-3-methyl-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one
SMILESCC(C)n1c(=O)n(C)c2nnc3cc(F)c(-c4ccc(OCCCN(C)C)nc4)cc3c21
InChIInChI=1S/C23H27FN6O2/c1-14(2)30-21-17-11-16(15-7-8-20(25-13-15)32-10-6-9-28(3)4)18(24)12-19(17)26-27-22(21)29(5)23(30)31/h7-8,11-14H,6,9-10H2,1-5H3
InChIKeyHVWMSPQYCHJIEG-UHFFFAOYSA-N
XLogP3.40
TPSA78.07 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.51
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-7-fluoro-3-methyl-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one?
The IUPAC name of 8-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-7-fluoro-3-methyl-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one (CID 138490673) is 8-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-7-fluoro-3-methyl-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one.
What is the SMILES notation for 8-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-7-fluoro-3-methyl-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one?
The canonical SMILES for 8-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-7-fluoro-3-methyl-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one is CC(C)n1c(=O)n(C)c2nnc3cc(F)c(-c4ccc(OCCCN(C)C)nc4)cc3c21.
What is the InChIKey of 8-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-7-fluoro-3-methyl-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one?
The InChIKey is HVWMSPQYCHJIEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27FN6O2/c1-14(2)30-21-17-11-16(15-7-8-20(25-13-15)32-10-6-9-28(3)4)18(24)12-19(17)26-27-22(21)29(5)23(30)31/h7-8,11-14H,6,9-10H2,1-5H3.
What are the key properties of 8-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-7-fluoro-3-methyl-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one?
8-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-7-fluoro-3-methyl-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one has a molecular weight of 438.51 g/mol, XLogP of 3.40, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-7-fluoro-3-methyl-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one is sourced from PubChem (CID 138490673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).