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

C25H23N5O3 — CID 59612951

IUPAC8-[5-methoxy-6-(methoxymethyl)-3-pyridinyl]-3-methyl-1-(2-methyl-3-pyridinyl)imidazo[4,5-c]quinolin-2-one
SMILESCOCc1ncc(-c2ccc3ncc4c(c3c2)n(-c2cccnc2C)c(=O)n4C)cc1OC
InChIInChI=1S/C25H23N5O3/c1-15-21(6-5-9-26-15)30-24-18-10-16(17-11-23(33-4)20(14-32-3)27-12-17)7-8-19(18)28-13-22(24)29(2)25(30)31/h5-13H,14H2,1-4H3
InChIKeyPEGSEQXBFOOCMF-UHFFFAOYSA-N
MW441.49 g/mol
LogP3.80
Rot. Bonds5

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

8-[5-methoxy-6-(methoxymethyl)-3-pyridinyl]-3-methyl-1-(2-methyl-3-pyridinyl)imidazo[4,5-c]quinolin-2-one (PubChem CID 59612951) has the molecular formula C25H23N5O3 and a molecular weight of 441.49 g/mol. Its IUPAC name is 8-[5-methoxy-6-(methoxymethyl)-3-pyridinyl]-3-methyl-1-(2-methyl-3-pyridinyl)imidazo[4,5-c]quinolin-2-one.

Molecular Properties

Compound Name8-[5-methoxy-6-(methoxymethyl)-3-pyridinyl]-3-methyl-1-(2-methyl-3-pyridinyl)imidazo[4,5-c]quinolin-2-one
PubChem CID59612951
Molecular FormulaC25H23N5O3
Molecular Weight441.49 g/mol
Exact Mass441.18
IUPAC Name8-[5-methoxy-6-(methoxymethyl)-3-pyridinyl]-3-methyl-1-(2-methyl-3-pyridinyl)imidazo[4,5-c]quinolin-2-one
SMILESCOCc1ncc(-c2ccc3ncc4c(c3c2)n(-c2cccnc2C)c(=O)n4C)cc1OC
InChIInChI=1S/C25H23N5O3/c1-15-21(6-5-9-26-15)30-24-18-10-16(17-11-23(33-4)20(14-32-3)27-12-17)7-8-19(18)28-13-22(24)29(2)25(30)31/h5-13H,14H2,1-4H3
InChIKeyPEGSEQXBFOOCMF-UHFFFAOYSA-N
XLogP3.80
TPSA84.06 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.49
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 8-[5-methoxy-6-(methoxymethyl)-3-pyridinyl]-3-methyl-1-(2-methyl-3-pyridinyl)imidazo[4,5-c]quinolin-2-one?
The IUPAC name of 8-[5-methoxy-6-(methoxymethyl)-3-pyridinyl]-3-methyl-1-(2-methyl-3-pyridinyl)imidazo[4,5-c]quinolin-2-one (CID 59612951) is 8-[5-methoxy-6-(methoxymethyl)-3-pyridinyl]-3-methyl-1-(2-methyl-3-pyridinyl)imidazo[4,5-c]quinolin-2-one.
What is the SMILES notation for 8-[5-methoxy-6-(methoxymethyl)-3-pyridinyl]-3-methyl-1-(2-methyl-3-pyridinyl)imidazo[4,5-c]quinolin-2-one?
The canonical SMILES for 8-[5-methoxy-6-(methoxymethyl)-3-pyridinyl]-3-methyl-1-(2-methyl-3-pyridinyl)imidazo[4,5-c]quinolin-2-one is COCc1ncc(-c2ccc3ncc4c(c3c2)n(-c2cccnc2C)c(=O)n4C)cc1OC.
What is the InChIKey of 8-[5-methoxy-6-(methoxymethyl)-3-pyridinyl]-3-methyl-1-(2-methyl-3-pyridinyl)imidazo[4,5-c]quinolin-2-one?
The InChIKey is PEGSEQXBFOOCMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N5O3/c1-15-21(6-5-9-26-15)30-24-18-10-16(17-11-23(33-4)20(14-32-3)27-12-17)7-8-19(18)28-13-22(24)29(2)25(30)31/h5-13H,14H2,1-4H3.
What are the key properties of 8-[5-methoxy-6-(methoxymethyl)-3-pyridinyl]-3-methyl-1-(2-methyl-3-pyridinyl)imidazo[4,5-c]quinolin-2-one?
8-[5-methoxy-6-(methoxymethyl)-3-pyridinyl]-3-methyl-1-(2-methyl-3-pyridinyl)imidazo[4,5-c]quinolin-2-one has a molecular weight of 441.49 g/mol, XLogP of 3.80, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[5-methoxy-6-(methoxymethyl)-3-pyridinyl]-3-methyl-1-(2-methyl-3-pyridinyl)imidazo[4,5-c]quinolin-2-one is sourced from PubChem (CID 59612951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).