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

C28H26N4O2 — CID 118101800

IUPAC1-(4-hydroxycyclohexyl)-3-methyl-8-(6-phenyl-3-pyridinyl)imidazo[4,5-c]quinolin-2-one
SMILESCn1c(=O)n(C2CCC(O)CC2)c2c3cc(-c4ccc(-c5ccccc5)nc4)ccc3ncc21
InChIInChI=1S/C28H26N4O2/c1-31-26-17-30-25-14-7-19(20-8-13-24(29-16-20)18-5-3-2-4-6-18)15-23(25)27(26)32(28(31)34)21-9-11-22(33)12-10-21/h2-8,13-17,21-22,33H,9-12H2,1H3
InChIKeyUOSMVGWFXJJPLS-UHFFFAOYSA-N
MW450.54 g/mol
LogP5.09
Rot. Bonds3

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

1-(4-hydroxycyclohexyl)-3-methyl-8-(6-phenyl-3-pyridinyl)imidazo[4,5-c]quinolin-2-one (PubChem CID 118101800) has the molecular formula C28H26N4O2 and a molecular weight of 450.54 g/mol. Its IUPAC name is 1-(4-hydroxycyclohexyl)-3-methyl-8-(6-phenyl-3-pyridinyl)imidazo[4,5-c]quinolin-2-one.

Molecular Properties

Compound Name1-(4-hydroxycyclohexyl)-3-methyl-8-(6-phenyl-3-pyridinyl)imidazo[4,5-c]quinolin-2-one
PubChem CID118101800
Molecular FormulaC28H26N4O2
Molecular Weight450.54 g/mol
Exact Mass450.21
IUPAC Name1-(4-hydroxycyclohexyl)-3-methyl-8-(6-phenyl-3-pyridinyl)imidazo[4,5-c]quinolin-2-one
SMILESCn1c(=O)n(C2CCC(O)CC2)c2c3cc(-c4ccc(-c5ccccc5)nc4)ccc3ncc21
InChIInChI=1S/C28H26N4O2/c1-31-26-17-30-25-14-7-19(20-8-13-24(29-16-20)18-5-3-2-4-6-18)15-23(25)27(26)32(28(31)34)21-9-11-22(33)12-10-21/h2-8,13-17,21-22,33H,9-12H2,1H3
InChIKeyUOSMVGWFXJJPLS-UHFFFAOYSA-N
XLogP5.09
TPSA72.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.54
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxycyclohexyl)-3-methyl-8-(6-phenyl-3-pyridinyl)imidazo[4,5-c]quinolin-2-one?
The IUPAC name of 1-(4-hydroxycyclohexyl)-3-methyl-8-(6-phenyl-3-pyridinyl)imidazo[4,5-c]quinolin-2-one (CID 118101800) is 1-(4-hydroxycyclohexyl)-3-methyl-8-(6-phenyl-3-pyridinyl)imidazo[4,5-c]quinolin-2-one.
What is the SMILES notation for 1-(4-hydroxycyclohexyl)-3-methyl-8-(6-phenyl-3-pyridinyl)imidazo[4,5-c]quinolin-2-one?
The canonical SMILES for 1-(4-hydroxycyclohexyl)-3-methyl-8-(6-phenyl-3-pyridinyl)imidazo[4,5-c]quinolin-2-one is Cn1c(=O)n(C2CCC(O)CC2)c2c3cc(-c4ccc(-c5ccccc5)nc4)ccc3ncc21.
What is the InChIKey of 1-(4-hydroxycyclohexyl)-3-methyl-8-(6-phenyl-3-pyridinyl)imidazo[4,5-c]quinolin-2-one?
The InChIKey is UOSMVGWFXJJPLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N4O2/c1-31-26-17-30-25-14-7-19(20-8-13-24(29-16-20)18-5-3-2-4-6-18)15-23(25)27(26)32(28(31)34)21-9-11-22(33)12-10-21/h2-8,13-17,21-22,33H,9-12H2,1H3.
What are the key properties of 1-(4-hydroxycyclohexyl)-3-methyl-8-(6-phenyl-3-pyridinyl)imidazo[4,5-c]quinolin-2-one?
1-(4-hydroxycyclohexyl)-3-methyl-8-(6-phenyl-3-pyridinyl)imidazo[4,5-c]quinolin-2-one has a molecular weight of 450.54 g/mol, XLogP of 5.09, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxycyclohexyl)-3-methyl-8-(6-phenyl-3-pyridinyl)imidazo[4,5-c]quinolin-2-one is sourced from PubChem (CID 118101800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).