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

C26H25N5O2 — CID 118101796

IUPAC1-(4-hydroxycyclohexyl)-3-methyl-8-(1-phenylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one
SMILESCn1c(=O)n(C2CCC(O)CC2)c2c3cc(-c4cnn(-c5ccccc5)c4)ccc3ncc21
InChIInChI=1S/C26H25N5O2/c1-29-24-15-27-23-12-7-17(18-14-28-30(16-18)19-5-3-2-4-6-19)13-22(23)25(24)31(26(29)33)20-8-10-21(32)11-9-20/h2-7,12-16,20-21,32H,8-11H2,1H3
InChIKeyIWWZJMKINULDRT-UHFFFAOYSA-N
MW439.52 g/mol
LogP4.22
Rot. Bonds3

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

1-(4-hydroxycyclohexyl)-3-methyl-8-(1-phenylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one (PubChem CID 118101796) has the molecular formula C26H25N5O2 and a molecular weight of 439.52 g/mol. Its IUPAC name is 1-(4-hydroxycyclohexyl)-3-methyl-8-(1-phenylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one.

Molecular Properties

Compound Name1-(4-hydroxycyclohexyl)-3-methyl-8-(1-phenylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one
PubChem CID118101796
Molecular FormulaC26H25N5O2
Molecular Weight439.52 g/mol
Exact Mass439.20
IUPAC Name1-(4-hydroxycyclohexyl)-3-methyl-8-(1-phenylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one
SMILESCn1c(=O)n(C2CCC(O)CC2)c2c3cc(-c4cnn(-c5ccccc5)c4)ccc3ncc21
InChIInChI=1S/C26H25N5O2/c1-29-24-15-27-23-12-7-17(18-14-28-30(16-18)19-5-3-2-4-6-19)13-22(23)25(24)31(26(29)33)20-8-10-21(32)11-9-20/h2-7,12-16,20-21,32H,8-11H2,1H3
InChIKeyIWWZJMKINULDRT-UHFFFAOYSA-N
XLogP4.22
TPSA77.87 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.52
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxycyclohexyl)-3-methyl-8-(1-phenylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one?
The IUPAC name of 1-(4-hydroxycyclohexyl)-3-methyl-8-(1-phenylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one (CID 118101796) is 1-(4-hydroxycyclohexyl)-3-methyl-8-(1-phenylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one.
What is the SMILES notation for 1-(4-hydroxycyclohexyl)-3-methyl-8-(1-phenylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one?
The canonical SMILES for 1-(4-hydroxycyclohexyl)-3-methyl-8-(1-phenylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one is Cn1c(=O)n(C2CCC(O)CC2)c2c3cc(-c4cnn(-c5ccccc5)c4)ccc3ncc21.
What is the InChIKey of 1-(4-hydroxycyclohexyl)-3-methyl-8-(1-phenylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one?
The InChIKey is IWWZJMKINULDRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N5O2/c1-29-24-15-27-23-12-7-17(18-14-28-30(16-18)19-5-3-2-4-6-19)13-22(23)25(24)31(26(29)33)20-8-10-21(32)11-9-20/h2-7,12-16,20-21,32H,8-11H2,1H3.
What are the key properties of 1-(4-hydroxycyclohexyl)-3-methyl-8-(1-phenylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one?
1-(4-hydroxycyclohexyl)-3-methyl-8-(1-phenylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one has a molecular weight of 439.52 g/mol, XLogP of 4.22, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxycyclohexyl)-3-methyl-8-(1-phenylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one is sourced from PubChem (CID 118101796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).