3-ethyl-4-N-(4-imidazo[1,2-c]pyrimidin-7-yloxyphenyl)quinoline-4,6-diamine

C23H20N6O — CID 145360439

IUPAC3-ethyl-4-N-(4-imidazo[1,2-c]pyrimidin-7-yloxyphenyl)quinoline-4,6-diamine
SMILESCCc1cnc2ccc(N)cc2c1Nc1ccc(Oc2cc3nccn3cn2)cc1
InChIInChI=1S/C23H20N6O/c1-2-15-13-26-20-8-3-16(24)11-19(20)23(15)28-17-4-6-18(7-5-17)30-22-12-21-25-9-10-29(21)14-27-22/h3-14H,2,24H2,1H3,(H,26,28)
InChIKeyZRIRCQZQUVYKSW-UHFFFAOYSA-N
MW396.45 g/mol
LogP4.96
Rot. Bonds5

About 3-ethyl-4-N-(4-imidazo[1,2-c]pyrimidin-7-yloxyphenyl)quinoline-4,6-diamine

3-ethyl-4-N-(4-imidazo[1,2-c]pyrimidin-7-yloxyphenyl)quinoline-4,6-diamine (PubChem CID 145360439) has the molecular formula C23H20N6O and a molecular weight of 396.45 g/mol. Its IUPAC name is 3-ethyl-4-N-(4-imidazo[1,2-c]pyrimidin-7-yloxyphenyl)quinoline-4,6-diamine.

Molecular Properties

Compound Name3-ethyl-4-N-(4-imidazo[1,2-c]pyrimidin-7-yloxyphenyl)quinoline-4,6-diamine
PubChem CID145360439
Molecular FormulaC23H20N6O
Molecular Weight396.45 g/mol
Exact Mass396.17
IUPAC Name3-ethyl-4-N-(4-imidazo[1,2-c]pyrimidin-7-yloxyphenyl)quinoline-4,6-diamine
SMILESCCc1cnc2ccc(N)cc2c1Nc1ccc(Oc2cc3nccn3cn2)cc1
InChIInChI=1S/C23H20N6O/c1-2-15-13-26-20-8-3-16(24)11-19(20)23(15)28-17-4-6-18(7-5-17)30-22-12-21-25-9-10-29(21)14-27-22/h3-14H,2,24H2,1H3,(H,26,28)
InChIKeyZRIRCQZQUVYKSW-UHFFFAOYSA-N
XLogP4.96
TPSA90.36 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.45
LogP ≤ 54.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 3-ethyl-4-N-(4-imidazo[1,2-c]pyrimidin-7-yloxyphenyl)quinoline-4,6-diamine 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-ethyl-4-N-(4-imidazo[1,2-c]pyrimidin-7-yloxyphenyl)quinoline-4,6-diamine?
The IUPAC name of 3-ethyl-4-N-(4-imidazo[1,2-c]pyrimidin-7-yloxyphenyl)quinoline-4,6-diamine (CID 145360439) is 3-ethyl-4-N-(4-imidazo[1,2-c]pyrimidin-7-yloxyphenyl)quinoline-4,6-diamine.
What is the SMILES notation for 3-ethyl-4-N-(4-imidazo[1,2-c]pyrimidin-7-yloxyphenyl)quinoline-4,6-diamine?
The canonical SMILES for 3-ethyl-4-N-(4-imidazo[1,2-c]pyrimidin-7-yloxyphenyl)quinoline-4,6-diamine is CCc1cnc2ccc(N)cc2c1Nc1ccc(Oc2cc3nccn3cn2)cc1.
What is the InChIKey of 3-ethyl-4-N-(4-imidazo[1,2-c]pyrimidin-7-yloxyphenyl)quinoline-4,6-diamine?
The InChIKey is ZRIRCQZQUVYKSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N6O/c1-2-15-13-26-20-8-3-16(24)11-19(20)23(15)28-17-4-6-18(7-5-17)30-22-12-21-25-9-10-29(21)14-27-22/h3-14H,2,24H2,1H3,(H,26,28).
What are the key properties of 3-ethyl-4-N-(4-imidazo[1,2-c]pyrimidin-7-yloxyphenyl)quinoline-4,6-diamine?
3-ethyl-4-N-(4-imidazo[1,2-c]pyrimidin-7-yloxyphenyl)quinoline-4,6-diamine has a molecular weight of 396.45 g/mol, XLogP of 4.96, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-N-(4-imidazo[1,2-c]pyrimidin-7-yloxyphenyl)quinoline-4,6-diamine is sourced from PubChem (CID 145360439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).