1-(4-hydroxycyclohexyl)-3-methyl-8-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]imidazo[4,5-c]quinolin-2-one

C26H26N6O2 — CID 118101687

IUPAC1-(4-hydroxycyclohexyl)-3-methyl-8-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]imidazo[4,5-c]quinolin-2-one
SMILESCn1cc(-c2ccc(-c3ccc4ncc5c(c4c3)n(C3CCC(O)CC3)c(=O)n5C)cn2)cn1
InChIInChI=1S/C26H26N6O2/c1-30-15-18(13-29-30)22-9-4-17(12-27-22)16-3-10-23-21(11-16)25-24(14-28-23)31(2)26(34)32(25)19-5-7-20(33)8-6-19/h3-4,9-15,19-20,33H,5-8H2,1-2H3
InChIKeyKOOLGTNMOAXCDL-UHFFFAOYSA-N
MW454.53 g/mol
LogP3.83
Rot. Bonds3

About 1-(4-hydroxycyclohexyl)-3-methyl-8-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]imidazo[4,5-c]quinolin-2-one

1-(4-hydroxycyclohexyl)-3-methyl-8-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]imidazo[4,5-c]quinolin-2-one (PubChem CID 118101687) has the molecular formula C26H26N6O2 and a molecular weight of 454.53 g/mol. Its IUPAC name is 1-(4-hydroxycyclohexyl)-3-methyl-8-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]imidazo[4,5-c]quinolin-2-one.

Molecular Properties

Compound Name1-(4-hydroxycyclohexyl)-3-methyl-8-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]imidazo[4,5-c]quinolin-2-one
PubChem CID118101687
Molecular FormulaC26H26N6O2
Molecular Weight454.53 g/mol
Exact Mass454.21
IUPAC Name1-(4-hydroxycyclohexyl)-3-methyl-8-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]imidazo[4,5-c]quinolin-2-one
SMILESCn1cc(-c2ccc(-c3ccc4ncc5c(c4c3)n(C3CCC(O)CC3)c(=O)n5C)cn2)cn1
InChIInChI=1S/C26H26N6O2/c1-30-15-18(13-29-30)22-9-4-17(12-27-22)16-3-10-23-21(11-16)25-24(14-28-23)31(2)26(34)32(25)19-5-7-20(33)8-6-19/h3-4,9-15,19-20,33H,5-8H2,1-2H3
InChIKeyKOOLGTNMOAXCDL-UHFFFAOYSA-N
XLogP3.83
TPSA90.76 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.53
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxycyclohexyl)-3-methyl-8-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]imidazo[4,5-c]quinolin-2-one?
The IUPAC name of 1-(4-hydroxycyclohexyl)-3-methyl-8-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]imidazo[4,5-c]quinolin-2-one (CID 118101687) is 1-(4-hydroxycyclohexyl)-3-methyl-8-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]imidazo[4,5-c]quinolin-2-one.
What is the SMILES notation for 1-(4-hydroxycyclohexyl)-3-methyl-8-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]imidazo[4,5-c]quinolin-2-one?
The canonical SMILES for 1-(4-hydroxycyclohexyl)-3-methyl-8-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]imidazo[4,5-c]quinolin-2-one is Cn1cc(-c2ccc(-c3ccc4ncc5c(c4c3)n(C3CCC(O)CC3)c(=O)n5C)cn2)cn1.
What is the InChIKey of 1-(4-hydroxycyclohexyl)-3-methyl-8-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]imidazo[4,5-c]quinolin-2-one?
The InChIKey is KOOLGTNMOAXCDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N6O2/c1-30-15-18(13-29-30)22-9-4-17(12-27-22)16-3-10-23-21(11-16)25-24(14-28-23)31(2)26(34)32(25)19-5-7-20(33)8-6-19/h3-4,9-15,19-20,33H,5-8H2,1-2H3.
What are the key properties of 1-(4-hydroxycyclohexyl)-3-methyl-8-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]imidazo[4,5-c]quinolin-2-one?
1-(4-hydroxycyclohexyl)-3-methyl-8-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]imidazo[4,5-c]quinolin-2-one has a molecular weight of 454.53 g/mol, XLogP of 3.83, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxycyclohexyl)-3-methyl-8-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]imidazo[4,5-c]quinolin-2-one is sourced from PubChem (CID 118101687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).