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

C23H23N7O2 — CID 59619625

IUPAC1-(1,3-dimethylpyrazol-4-yl)-8-[6-(2-hydroxyethylamino)-3-pyridinyl]-3-methylimidazo[4,5-c]quinolin-2-one
SMILESCc1nn(C)cc1-n1c(=O)n(C)c2cnc3ccc(-c4ccc(NCCO)nc4)cc3c21
InChIInChI=1S/C23H23N7O2/c1-14-20(13-28(2)27-14)30-22-17-10-15(16-5-7-21(26-11-16)24-8-9-31)4-6-18(17)25-12-19(22)29(3)23(30)32/h4-7,10-13,31H,8-9H2,1-3H3,(H,24,26)
InChIKeyZMFBZHLHXHMBOD-UHFFFAOYSA-N
MW429.48 g/mol
LogP2.39
Rot. Bonds5

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

1-(1,3-dimethylpyrazol-4-yl)-8-[6-(2-hydroxyethylamino)-3-pyridinyl]-3-methylimidazo[4,5-c]quinolin-2-one (PubChem CID 59619625) has the molecular formula C23H23N7O2 and a molecular weight of 429.48 g/mol. Its IUPAC name is 1-(1,3-dimethylpyrazol-4-yl)-8-[6-(2-hydroxyethylamino)-3-pyridinyl]-3-methylimidazo[4,5-c]quinolin-2-one.

Molecular Properties

Compound Name1-(1,3-dimethylpyrazol-4-yl)-8-[6-(2-hydroxyethylamino)-3-pyridinyl]-3-methylimidazo[4,5-c]quinolin-2-one
PubChem CID59619625
Molecular FormulaC23H23N7O2
Molecular Weight429.48 g/mol
Exact Mass429.19
IUPAC Name1-(1,3-dimethylpyrazol-4-yl)-8-[6-(2-hydroxyethylamino)-3-pyridinyl]-3-methylimidazo[4,5-c]quinolin-2-one
SMILESCc1nn(C)cc1-n1c(=O)n(C)c2cnc3ccc(-c4ccc(NCCO)nc4)cc3c21
InChIInChI=1S/C23H23N7O2/c1-14-20(13-28(2)27-14)30-22-17-10-15(16-5-7-21(26-11-16)24-8-9-31)4-6-18(17)25-12-19(22)29(3)23(30)32/h4-7,10-13,31H,8-9H2,1-3H3,(H,24,26)
InChIKeyZMFBZHLHXHMBOD-UHFFFAOYSA-N
XLogP2.39
TPSA102.79 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.48
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dimethylpyrazol-4-yl)-8-[6-(2-hydroxyethylamino)-3-pyridinyl]-3-methylimidazo[4,5-c]quinolin-2-one?
The IUPAC name of 1-(1,3-dimethylpyrazol-4-yl)-8-[6-(2-hydroxyethylamino)-3-pyridinyl]-3-methylimidazo[4,5-c]quinolin-2-one (CID 59619625) is 1-(1,3-dimethylpyrazol-4-yl)-8-[6-(2-hydroxyethylamino)-3-pyridinyl]-3-methylimidazo[4,5-c]quinolin-2-one.
What is the SMILES notation for 1-(1,3-dimethylpyrazol-4-yl)-8-[6-(2-hydroxyethylamino)-3-pyridinyl]-3-methylimidazo[4,5-c]quinolin-2-one?
The canonical SMILES for 1-(1,3-dimethylpyrazol-4-yl)-8-[6-(2-hydroxyethylamino)-3-pyridinyl]-3-methylimidazo[4,5-c]quinolin-2-one is Cc1nn(C)cc1-n1c(=O)n(C)c2cnc3ccc(-c4ccc(NCCO)nc4)cc3c21.
What is the InChIKey of 1-(1,3-dimethylpyrazol-4-yl)-8-[6-(2-hydroxyethylamino)-3-pyridinyl]-3-methylimidazo[4,5-c]quinolin-2-one?
The InChIKey is ZMFBZHLHXHMBOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N7O2/c1-14-20(13-28(2)27-14)30-22-17-10-15(16-5-7-21(26-11-16)24-8-9-31)4-6-18(17)25-12-19(22)29(3)23(30)32/h4-7,10-13,31H,8-9H2,1-3H3,(H,24,26).
What are the key properties of 1-(1,3-dimethylpyrazol-4-yl)-8-[6-(2-hydroxyethylamino)-3-pyridinyl]-3-methylimidazo[4,5-c]quinolin-2-one?
1-(1,3-dimethylpyrazol-4-yl)-8-[6-(2-hydroxyethylamino)-3-pyridinyl]-3-methylimidazo[4,5-c]quinolin-2-one has a molecular weight of 429.48 g/mol, XLogP of 2.39, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dimethylpyrazol-4-yl)-8-[6-(2-hydroxyethylamino)-3-pyridinyl]-3-methylimidazo[4,5-c]quinolin-2-one is sourced from PubChem (CID 59619625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).