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

C27H29N5O3 — CID 163286343

IUPAC3-[[5-[2-(furan-2-yl)-1-(2-methoxyethyl)imidazo[4,5-c]quinolin-8-yl]-2-pyridinyl]oxy]-N,N-dimethylpropan-1-amine
SMILESCOCCn1c(-c2ccco2)nc2cnc3ccc(-c4ccc(OCCCN(C)C)nc4)cc3c21
InChIInChI=1S/C27H29N5O3/c1-31(2)11-5-14-35-25-10-8-20(17-29-25)19-7-9-22-21(16-19)26-23(18-28-22)30-27(24-6-4-13-34-24)32(26)12-15-33-3/h4,6-10,13,16-18H,5,11-12,14-15H2,1-3H3
InChIKeyHODRACUOUKYTME-UHFFFAOYSA-N
MW471.56 g/mol
LogP4.88
Rot. Bonds10

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

3-[[5-[2-(furan-2-yl)-1-(2-methoxyethyl)imidazo[4,5-c]quinolin-8-yl]-2-pyridinyl]oxy]-N,N-dimethylpropan-1-amine (PubChem CID 163286343) has the molecular formula C27H29N5O3 and a molecular weight of 471.56 g/mol. Its IUPAC name is 3-[[5-[2-(furan-2-yl)-1-(2-methoxyethyl)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-(2-methoxyethyl)imidazo[4,5-c]quinolin-8-yl]-2-pyridinyl]oxy]-N,N-dimethylpropan-1-amine
PubChem CID163286343
Molecular FormulaC27H29N5O3
Molecular Weight471.56 g/mol
Exact Mass471.23
IUPAC Name3-[[5-[2-(furan-2-yl)-1-(2-methoxyethyl)imidazo[4,5-c]quinolin-8-yl]-2-pyridinyl]oxy]-N,N-dimethylpropan-1-amine
SMILESCOCCn1c(-c2ccco2)nc2cnc3ccc(-c4ccc(OCCCN(C)C)nc4)cc3c21
InChIInChI=1S/C27H29N5O3/c1-31(2)11-5-14-35-25-10-8-20(17-29-25)19-7-9-22-21(16-19)26-23(18-28-22)30-27(24-6-4-13-34-24)32(26)12-15-33-3/h4,6-10,13,16-18H,5,11-12,14-15H2,1-3H3
InChIKeyHODRACUOUKYTME-UHFFFAOYSA-N
XLogP4.88
TPSA78.44 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.56
LogP ≤ 54.88
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-(2-methoxyethyl)imidazo[4,5-c]quinolin-8-yl]-2-pyridinyl]oxy]-N,N-dimethylpropan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[[5-[2-(furan-2-yl)-1-(2-methoxyethyl)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-(2-methoxyethyl)imidazo[4,5-c]quinolin-8-yl]-2-pyridinyl]oxy]-N,N-dimethylpropan-1-amine (CID 163286343) is 3-[[5-[2-(furan-2-yl)-1-(2-methoxyethyl)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-(2-methoxyethyl)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-(2-methoxyethyl)imidazo[4,5-c]quinolin-8-yl]-2-pyridinyl]oxy]-N,N-dimethylpropan-1-amine is COCCn1c(-c2ccco2)nc2cnc3ccc(-c4ccc(OCCCN(C)C)nc4)cc3c21.
What is the InChIKey of 3-[[5-[2-(furan-2-yl)-1-(2-methoxyethyl)imidazo[4,5-c]quinolin-8-yl]-2-pyridinyl]oxy]-N,N-dimethylpropan-1-amine?
The InChIKey is HODRACUOUKYTME-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N5O3/c1-31(2)11-5-14-35-25-10-8-20(17-29-25)19-7-9-22-21(16-19)26-23(18-28-22)30-27(24-6-4-13-34-24)32(26)12-15-33-3/h4,6-10,13,16-18H,5,11-12,14-15H2,1-3H3.
What are the key properties of 3-[[5-[2-(furan-2-yl)-1-(2-methoxyethyl)imidazo[4,5-c]quinolin-8-yl]-2-pyridinyl]oxy]-N,N-dimethylpropan-1-amine?
3-[[5-[2-(furan-2-yl)-1-(2-methoxyethyl)imidazo[4,5-c]quinolin-8-yl]-2-pyridinyl]oxy]-N,N-dimethylpropan-1-amine has a molecular weight of 471.56 g/mol, XLogP of 4.88, 10 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-(2-methoxyethyl)imidazo[4,5-c]quinolin-8-yl]-2-pyridinyl]oxy]-N,N-dimethylpropan-1-amine is sourced from PubChem (CID 163286343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).