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

C23H23FN4O3 — CID 130406080

IUPAC8-[2-fluoro-6-(methoxymethyl)-3-pyridinyl]-3-methyl-1-[(3R)-oxan-3-yl]imidazo[4,5-c]quinolin-2-one
SMILESCOCc1ccc(-c2ccc3ncc4c(c3c2)n([C@@H]2CCCOC2)c(=O)n4C)c(F)n1
InChIInChI=1S/C23H23FN4O3/c1-27-20-11-25-19-8-5-14(17-7-6-15(12-30-2)26-22(17)24)10-18(19)21(20)28(23(27)29)16-4-3-9-31-13-16/h5-8,10-11,16H,3-4,9,12-13H2,1-2H3/t16-/m1/s1
InChIKeyILEQOOOWITXZTF-MRXNPFEDSA-N
MW422.46 g/mol
LogP3.59
Rot. Bonds4

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

8-[2-fluoro-6-(methoxymethyl)-3-pyridinyl]-3-methyl-1-[(3R)-oxan-3-yl]imidazo[4,5-c]quinolin-2-one (PubChem CID 130406080) has the molecular formula C23H23FN4O3 and a molecular weight of 422.46 g/mol. Its IUPAC name is 8-[2-fluoro-6-(methoxymethyl)-3-pyridinyl]-3-methyl-1-[(3R)-oxan-3-yl]imidazo[4,5-c]quinolin-2-one.

Molecular Properties

Compound Name8-[2-fluoro-6-(methoxymethyl)-3-pyridinyl]-3-methyl-1-[(3R)-oxan-3-yl]imidazo[4,5-c]quinolin-2-one
PubChem CID130406080
Molecular FormulaC23H23FN4O3
Molecular Weight422.46 g/mol
Exact Mass422.18
IUPAC Name8-[2-fluoro-6-(methoxymethyl)-3-pyridinyl]-3-methyl-1-[(3R)-oxan-3-yl]imidazo[4,5-c]quinolin-2-one
SMILESCOCc1ccc(-c2ccc3ncc4c(c3c2)n([C@@H]2CCCOC2)c(=O)n4C)c(F)n1
InChIInChI=1S/C23H23FN4O3/c1-27-20-11-25-19-8-5-14(17-7-6-15(12-30-2)26-22(17)24)10-18(19)21(20)28(23(27)29)16-4-3-9-31-13-16/h5-8,10-11,16H,3-4,9,12-13H2,1-2H3/t16-/m1/s1
InChIKeyILEQOOOWITXZTF-MRXNPFEDSA-N
XLogP3.59
TPSA71.17 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.46
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-[2-fluoro-6-(methoxymethyl)-3-pyridinyl]-3-methyl-1-[(3R)-oxan-3-yl]imidazo[4,5-c]quinolin-2-one?
The IUPAC name of 8-[2-fluoro-6-(methoxymethyl)-3-pyridinyl]-3-methyl-1-[(3R)-oxan-3-yl]imidazo[4,5-c]quinolin-2-one (CID 130406080) is 8-[2-fluoro-6-(methoxymethyl)-3-pyridinyl]-3-methyl-1-[(3R)-oxan-3-yl]imidazo[4,5-c]quinolin-2-one.
What is the SMILES notation for 8-[2-fluoro-6-(methoxymethyl)-3-pyridinyl]-3-methyl-1-[(3R)-oxan-3-yl]imidazo[4,5-c]quinolin-2-one?
The canonical SMILES for 8-[2-fluoro-6-(methoxymethyl)-3-pyridinyl]-3-methyl-1-[(3R)-oxan-3-yl]imidazo[4,5-c]quinolin-2-one is COCc1ccc(-c2ccc3ncc4c(c3c2)n([C@@H]2CCCOC2)c(=O)n4C)c(F)n1.
What is the InChIKey of 8-[2-fluoro-6-(methoxymethyl)-3-pyridinyl]-3-methyl-1-[(3R)-oxan-3-yl]imidazo[4,5-c]quinolin-2-one?
The InChIKey is ILEQOOOWITXZTF-MRXNPFEDSA-N. The full InChI is InChI=1S/C23H23FN4O3/c1-27-20-11-25-19-8-5-14(17-7-6-15(12-30-2)26-22(17)24)10-18(19)21(20)28(23(27)29)16-4-3-9-31-13-16/h5-8,10-11,16H,3-4,9,12-13H2,1-2H3/t16-/m1/s1.
What are the key properties of 8-[2-fluoro-6-(methoxymethyl)-3-pyridinyl]-3-methyl-1-[(3R)-oxan-3-yl]imidazo[4,5-c]quinolin-2-one?
8-[2-fluoro-6-(methoxymethyl)-3-pyridinyl]-3-methyl-1-[(3R)-oxan-3-yl]imidazo[4,5-c]quinolin-2-one has a molecular weight of 422.46 g/mol, XLogP of 3.59, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-fluoro-6-(methoxymethyl)-3-pyridinyl]-3-methyl-1-[(3R)-oxan-3-yl]imidazo[4,5-c]quinolin-2-one is sourced from PubChem (CID 130406080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).