3-[[5-[2-(furan-2-yl)-1-(oxan-4-yl)imidazo[4,5-c]quinolin-8-yl]-2-pyridinyl]oxy]-N,N-dimethylpropan-1-amine

C29H31N5O3 — CID 163286337

IUPAC3-[[5-[2-(furan-2-yl)-1-(oxan-4-yl)imidazo[4,5-c]quinolin-8-yl]-2-pyridinyl]oxy]-N,N-dimethylpropan-1-amine
SMILESCN(C)CCCOc1ccc(-c2ccc3ncc4nc(-c5ccco5)n(C5CCOCC5)c4c3c2)cn1
InChIInChI=1S/C29H31N5O3/c1-33(2)12-4-14-37-27-9-7-21(18-31-27)20-6-8-24-23(17-20)28-25(19-30-24)32-29(26-5-3-13-36-26)34(28)22-10-15-35-16-11-22/h3,5-9,13,17-19,22H,4,10-12,14-16H2,1-2H3
InChIKeyKZRQTGQCHMCTTR-UHFFFAOYSA-N
MW497.60 g/mol
LogP5.59
Rot. Bonds8

About 3-[[5-[2-(furan-2-yl)-1-(oxan-4-yl)imidazo[4,5-c]quinolin-8-yl]-2-pyridinyl]oxy]-N,N-dimethylpropan-1-amine

3-[[5-[2-(furan-2-yl)-1-(oxan-4-yl)imidazo[4,5-c]quinolin-8-yl]-2-pyridinyl]oxy]-N,N-dimethylpropan-1-amine (PubChem CID 163286337) has the molecular formula C29H31N5O3 and a molecular weight of 497.60 g/mol. Its IUPAC name is 3-[[5-[2-(furan-2-yl)-1-(oxan-4-yl)imidazo[4,5-c]quinolin-8-yl]-2-pyridinyl]oxy]-N,N-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-[[5-[2-(furan-2-yl)-1-(oxan-4-yl)imidazo[4,5-c]quinolin-8-yl]-2-pyridinyl]oxy]-N,N-dimethylpropan-1-amine
PubChem CID163286337
Molecular FormulaC29H31N5O3
Molecular Weight497.60 g/mol
Exact Mass497.24
IUPAC Name3-[[5-[2-(furan-2-yl)-1-(oxan-4-yl)imidazo[4,5-c]quinolin-8-yl]-2-pyridinyl]oxy]-N,N-dimethylpropan-1-amine
SMILESCN(C)CCCOc1ccc(-c2ccc3ncc4nc(-c5ccco5)n(C5CCOCC5)c4c3c2)cn1
InChIInChI=1S/C29H31N5O3/c1-33(2)12-4-14-37-27-9-7-21(18-31-27)20-6-8-24-23(17-20)28-25(19-30-24)32-29(26-5-3-13-36-26)34(28)22-10-15-35-16-11-22/h3,5-9,13,17-19,22H,4,10-12,14-16H2,1-2H3
InChIKeyKZRQTGQCHMCTTR-UHFFFAOYSA-N
XLogP5.59
TPSA78.44 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.60
LogP ≤ 55.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 3-[[5-[2-(furan-2-yl)-1-(oxan-4-yl)imidazo[4,5-c]quinolin-8-yl]-2-pyridinyl]oxy]-N,N-dimethylpropan-1-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[[5-[2-(furan-2-yl)-1-(oxan-4-yl)imidazo[4,5-c]quinolin-8-yl]-2-pyridinyl]oxy]-N,N-dimethylpropan-1-amine?
The IUPAC name of 3-[[5-[2-(furan-2-yl)-1-(oxan-4-yl)imidazo[4,5-c]quinolin-8-yl]-2-pyridinyl]oxy]-N,N-dimethylpropan-1-amine (CID 163286337) is 3-[[5-[2-(furan-2-yl)-1-(oxan-4-yl)imidazo[4,5-c]quinolin-8-yl]-2-pyridinyl]oxy]-N,N-dimethylpropan-1-amine.
What is the SMILES notation for 3-[[5-[2-(furan-2-yl)-1-(oxan-4-yl)imidazo[4,5-c]quinolin-8-yl]-2-pyridinyl]oxy]-N,N-dimethylpropan-1-amine?
The canonical SMILES for 3-[[5-[2-(furan-2-yl)-1-(oxan-4-yl)imidazo[4,5-c]quinolin-8-yl]-2-pyridinyl]oxy]-N,N-dimethylpropan-1-amine is CN(C)CCCOc1ccc(-c2ccc3ncc4nc(-c5ccco5)n(C5CCOCC5)c4c3c2)cn1.
What is the InChIKey of 3-[[5-[2-(furan-2-yl)-1-(oxan-4-yl)imidazo[4,5-c]quinolin-8-yl]-2-pyridinyl]oxy]-N,N-dimethylpropan-1-amine?
The InChIKey is KZRQTGQCHMCTTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31N5O3/c1-33(2)12-4-14-37-27-9-7-21(18-31-27)20-6-8-24-23(17-20)28-25(19-30-24)32-29(26-5-3-13-36-26)34(28)22-10-15-35-16-11-22/h3,5-9,13,17-19,22H,4,10-12,14-16H2,1-2H3.
What are the key properties of 3-[[5-[2-(furan-2-yl)-1-(oxan-4-yl)imidazo[4,5-c]quinolin-8-yl]-2-pyridinyl]oxy]-N,N-dimethylpropan-1-amine?
3-[[5-[2-(furan-2-yl)-1-(oxan-4-yl)imidazo[4,5-c]quinolin-8-yl]-2-pyridinyl]oxy]-N,N-dimethylpropan-1-amine has a molecular weight of 497.60 g/mol, XLogP of 5.59, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-[2-(furan-2-yl)-1-(oxan-4-yl)imidazo[4,5-c]quinolin-8-yl]-2-pyridinyl]oxy]-N,N-dimethylpropan-1-amine is sourced from PubChem (CID 163286337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).