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

C23H24N4O2 — CID 118101797

IUPAC1-(4-hydroxycyclohexyl)-3-methyl-8-(6-methyl-3-pyridinyl)imidazo[4,5-c]quinolin-2-one
SMILESCc1ccc(-c2ccc3ncc4c(c3c2)n(C2CCC(O)CC2)c(=O)n4C)cn1
InChIInChI=1S/C23H24N4O2/c1-14-3-4-16(12-24-14)15-5-10-20-19(11-15)22-21(13-25-20)26(2)23(29)27(22)17-6-8-18(28)9-7-17/h3-5,10-13,17-18,28H,6-9H2,1-2H3
InChIKeyONTKCWMBCSHUAZ-UHFFFAOYSA-N
MW388.47 g/mol
LogP3.73
Rot. Bonds2

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

1-(4-hydroxycyclohexyl)-3-methyl-8-(6-methyl-3-pyridinyl)imidazo[4,5-c]quinolin-2-one (PubChem CID 118101797) has the molecular formula C23H24N4O2 and a molecular weight of 388.47 g/mol. Its IUPAC name is 1-(4-hydroxycyclohexyl)-3-methyl-8-(6-methyl-3-pyridinyl)imidazo[4,5-c]quinolin-2-one.

Molecular Properties

Compound Name1-(4-hydroxycyclohexyl)-3-methyl-8-(6-methyl-3-pyridinyl)imidazo[4,5-c]quinolin-2-one
PubChem CID118101797
Molecular FormulaC23H24N4O2
Molecular Weight388.47 g/mol
Exact Mass388.19
IUPAC Name1-(4-hydroxycyclohexyl)-3-methyl-8-(6-methyl-3-pyridinyl)imidazo[4,5-c]quinolin-2-one
SMILESCc1ccc(-c2ccc3ncc4c(c3c2)n(C2CCC(O)CC2)c(=O)n4C)cn1
InChIInChI=1S/C23H24N4O2/c1-14-3-4-16(12-24-14)15-5-10-20-19(11-15)22-21(13-25-20)26(2)23(29)27(22)17-6-8-18(28)9-7-17/h3-5,10-13,17-18,28H,6-9H2,1-2H3
InChIKeyONTKCWMBCSHUAZ-UHFFFAOYSA-N
XLogP3.73
TPSA72.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 53.73
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-methyl-3-pyridinyl)imidazo[4,5-c]quinolin-2-one?
The IUPAC name of 1-(4-hydroxycyclohexyl)-3-methyl-8-(6-methyl-3-pyridinyl)imidazo[4,5-c]quinolin-2-one (CID 118101797) is 1-(4-hydroxycyclohexyl)-3-methyl-8-(6-methyl-3-pyridinyl)imidazo[4,5-c]quinolin-2-one.
What is the SMILES notation for 1-(4-hydroxycyclohexyl)-3-methyl-8-(6-methyl-3-pyridinyl)imidazo[4,5-c]quinolin-2-one?
The canonical SMILES for 1-(4-hydroxycyclohexyl)-3-methyl-8-(6-methyl-3-pyridinyl)imidazo[4,5-c]quinolin-2-one is Cc1ccc(-c2ccc3ncc4c(c3c2)n(C2CCC(O)CC2)c(=O)n4C)cn1.
What is the InChIKey of 1-(4-hydroxycyclohexyl)-3-methyl-8-(6-methyl-3-pyridinyl)imidazo[4,5-c]quinolin-2-one?
The InChIKey is ONTKCWMBCSHUAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O2/c1-14-3-4-16(12-24-14)15-5-10-20-19(11-15)22-21(13-25-20)26(2)23(29)27(22)17-6-8-18(28)9-7-17/h3-5,10-13,17-18,28H,6-9H2,1-2H3.
What are the key properties of 1-(4-hydroxycyclohexyl)-3-methyl-8-(6-methyl-3-pyridinyl)imidazo[4,5-c]quinolin-2-one?
1-(4-hydroxycyclohexyl)-3-methyl-8-(6-methyl-3-pyridinyl)imidazo[4,5-c]quinolin-2-one has a molecular weight of 388.47 g/mol, XLogP of 3.73, 2 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-methyl-3-pyridinyl)imidazo[4,5-c]quinolin-2-one is sourced from PubChem (CID 118101797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).