4-ethoxy-6-quinolin-3-ylpteridin-2-amine

C17H14N6O — CID 68775878

IUPAC4-ethoxy-6-quinolin-3-ylpteridin-2-amine
SMILESCCOc1nc(N)nc2ncc(-c3cnc4ccccc4c3)nc12
InChIInChI=1S/C17H14N6O/c1-2-24-16-14-15(22-17(18)23-16)20-9-13(21-14)11-7-10-5-3-4-6-12(10)19-8-11/h3-9H,2H2,1H3,(H2,18,20,22,23)
InChIKeyMKIVZSJBUIDLLL-UHFFFAOYSA-N
MW318.34 g/mol
LogP2.62
Rot. Bonds3

About 4-ethoxy-6-quinolin-3-ylpteridin-2-amine

4-ethoxy-6-quinolin-3-ylpteridin-2-amine (PubChem CID 68775878) has the molecular formula C17H14N6O and a molecular weight of 318.34 g/mol. Its IUPAC name is 4-ethoxy-6-quinolin-3-ylpteridin-2-amine.

Molecular Properties

Compound Name4-ethoxy-6-quinolin-3-ylpteridin-2-amine
PubChem CID68775878
Molecular FormulaC17H14N6O
Molecular Weight318.34 g/mol
Exact Mass318.12
IUPAC Name4-ethoxy-6-quinolin-3-ylpteridin-2-amine
SMILESCCOc1nc(N)nc2ncc(-c3cnc4ccccc4c3)nc12
InChIInChI=1S/C17H14N6O/c1-2-24-16-14-15(22-17(18)23-16)20-9-13(21-14)11-7-10-5-3-4-6-12(10)19-8-11/h3-9H,2H2,1H3,(H2,18,20,22,23)
InChIKeyMKIVZSJBUIDLLL-UHFFFAOYSA-N
XLogP2.62
TPSA99.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.34
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-ethoxy-6-quinolin-3-ylpteridin-2-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 4-ethoxy-6-quinolin-3-ylpteridin-2-amine?
The IUPAC name of 4-ethoxy-6-quinolin-3-ylpteridin-2-amine (CID 68775878) is 4-ethoxy-6-quinolin-3-ylpteridin-2-amine.
What is the SMILES notation for 4-ethoxy-6-quinolin-3-ylpteridin-2-amine?
The canonical SMILES for 4-ethoxy-6-quinolin-3-ylpteridin-2-amine is CCOc1nc(N)nc2ncc(-c3cnc4ccccc4c3)nc12.
What is the InChIKey of 4-ethoxy-6-quinolin-3-ylpteridin-2-amine?
The InChIKey is MKIVZSJBUIDLLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N6O/c1-2-24-16-14-15(22-17(18)23-16)20-9-13(21-14)11-7-10-5-3-4-6-12(10)19-8-11/h3-9H,2H2,1H3,(H2,18,20,22,23).
What are the key properties of 4-ethoxy-6-quinolin-3-ylpteridin-2-amine?
4-ethoxy-6-quinolin-3-ylpteridin-2-amine has a molecular weight of 318.34 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-6-quinolin-3-ylpteridin-2-amine is sourced from PubChem (CID 68775878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).