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

C30H37FN4O3 — CID 134377641

IUPAC8-(2-fluoro-6-nonoxy-3-pyridinyl)-3-methyl-1-(oxan-3-yl)imidazo[4,5-c]quinolin-2-one
SMILESCCCCCCCCCOc1ccc(-c2ccc3ncc4c(c3c2)n(C2CCCOC2)c(=O)n4C)c(F)n1
InChIInChI=1S/C30H37FN4O3/c1-3-4-5-6-7-8-9-17-38-27-15-13-23(29(31)33-27)21-12-14-25-24(18-21)28-26(19-32-25)34(2)30(36)35(28)22-11-10-16-37-20-22/h12-15,18-19,22H,3-11,16-17,20H2,1-2H3
InChIKeyGJZZQJGEMOUMHE-UHFFFAOYSA-N
MW520.65 g/mol
LogP6.57
Rot. Bonds11

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

8-(2-fluoro-6-nonoxy-3-pyridinyl)-3-methyl-1-(oxan-3-yl)imidazo[4,5-c]quinolin-2-one (PubChem CID 134377641) has the molecular formula C30H37FN4O3 and a molecular weight of 520.65 g/mol. Its IUPAC name is 8-(2-fluoro-6-nonoxy-3-pyridinyl)-3-methyl-1-(oxan-3-yl)imidazo[4,5-c]quinolin-2-one.

Molecular Properties

Compound Name8-(2-fluoro-6-nonoxy-3-pyridinyl)-3-methyl-1-(oxan-3-yl)imidazo[4,5-c]quinolin-2-one
PubChem CID134377641
Molecular FormulaC30H37FN4O3
Molecular Weight520.65 g/mol
Exact Mass520.28
IUPAC Name8-(2-fluoro-6-nonoxy-3-pyridinyl)-3-methyl-1-(oxan-3-yl)imidazo[4,5-c]quinolin-2-one
SMILESCCCCCCCCCOc1ccc(-c2ccc3ncc4c(c3c2)n(C2CCCOC2)c(=O)n4C)c(F)n1
InChIInChI=1S/C30H37FN4O3/c1-3-4-5-6-7-8-9-17-38-27-15-13-23(29(31)33-27)21-12-14-25-24(18-21)28-26(19-32-25)34(2)30(36)35(28)22-11-10-16-37-20-22/h12-15,18-19,22H,3-11,16-17,20H2,1-2H3
InChIKeyGJZZQJGEMOUMHE-UHFFFAOYSA-N
XLogP6.57
TPSA71.17 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.65
LogP ≤ 56.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-(2-fluoro-6-nonoxy-3-pyridinyl)-3-methyl-1-(oxan-3-yl)imidazo[4,5-c]quinolin-2-one?
The IUPAC name of 8-(2-fluoro-6-nonoxy-3-pyridinyl)-3-methyl-1-(oxan-3-yl)imidazo[4,5-c]quinolin-2-one (CID 134377641) is 8-(2-fluoro-6-nonoxy-3-pyridinyl)-3-methyl-1-(oxan-3-yl)imidazo[4,5-c]quinolin-2-one.
What is the SMILES notation for 8-(2-fluoro-6-nonoxy-3-pyridinyl)-3-methyl-1-(oxan-3-yl)imidazo[4,5-c]quinolin-2-one?
The canonical SMILES for 8-(2-fluoro-6-nonoxy-3-pyridinyl)-3-methyl-1-(oxan-3-yl)imidazo[4,5-c]quinolin-2-one is CCCCCCCCCOc1ccc(-c2ccc3ncc4c(c3c2)n(C2CCCOC2)c(=O)n4C)c(F)n1.
What is the InChIKey of 8-(2-fluoro-6-nonoxy-3-pyridinyl)-3-methyl-1-(oxan-3-yl)imidazo[4,5-c]quinolin-2-one?
The InChIKey is GJZZQJGEMOUMHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H37FN4O3/c1-3-4-5-6-7-8-9-17-38-27-15-13-23(29(31)33-27)21-12-14-25-24(18-21)28-26(19-32-25)34(2)30(36)35(28)22-11-10-16-37-20-22/h12-15,18-19,22H,3-11,16-17,20H2,1-2H3.
What are the key properties of 8-(2-fluoro-6-nonoxy-3-pyridinyl)-3-methyl-1-(oxan-3-yl)imidazo[4,5-c]quinolin-2-one?
8-(2-fluoro-6-nonoxy-3-pyridinyl)-3-methyl-1-(oxan-3-yl)imidazo[4,5-c]quinolin-2-one has a molecular weight of 520.65 g/mol, XLogP of 6.57, 11 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-fluoro-6-nonoxy-3-pyridinyl)-3-methyl-1-(oxan-3-yl)imidazo[4,5-c]quinolin-2-one is sourced from PubChem (CID 134377641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).