6-methoxy-2-N-quinolin-6-ylpyridine-2,3-diamine

C15H14N4O — CID 115320727

IUPAC6-methoxy-2-N-quinolin-6-ylpyridine-2,3-diamine
SMILESCOc1ccc(N)c(Nc2ccc3ncccc3c2)n1
InChIInChI=1S/C15H14N4O/c1-20-14-7-5-12(16)15(19-14)18-11-4-6-13-10(9-11)3-2-8-17-13/h2-9H,16H2,1H3,(H,18,19)
InChIKeyHOKHLGMMPBONSL-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.96
Rot. Bonds3

About 6-methoxy-2-N-quinolin-6-ylpyridine-2,3-diamine

6-methoxy-2-N-quinolin-6-ylpyridine-2,3-diamine (PubChem CID 115320727) has the molecular formula C15H14N4O and a molecular weight of 266.30 g/mol. Its IUPAC name is 6-methoxy-2-N-quinolin-6-ylpyridine-2,3-diamine.

Molecular Properties

Compound Name6-methoxy-2-N-quinolin-6-ylpyridine-2,3-diamine
PubChem CID115320727
Molecular FormulaC15H14N4O
Molecular Weight266.30 g/mol
Exact Mass266.12
IUPAC Name6-methoxy-2-N-quinolin-6-ylpyridine-2,3-diamine
SMILESCOc1ccc(N)c(Nc2ccc3ncccc3c2)n1
InChIInChI=1S/C15H14N4O/c1-20-14-7-5-12(16)15(19-14)18-11-4-6-13-10(9-11)3-2-8-17-13/h2-9H,16H2,1H3,(H,18,19)
InChIKeyHOKHLGMMPBONSL-UHFFFAOYSA-N
XLogP2.96
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-N-quinolin-6-ylpyridine-2,3-diamine?
The IUPAC name of 6-methoxy-2-N-quinolin-6-ylpyridine-2,3-diamine (CID 115320727) is 6-methoxy-2-N-quinolin-6-ylpyridine-2,3-diamine.
What is the SMILES notation for 6-methoxy-2-N-quinolin-6-ylpyridine-2,3-diamine?
The canonical SMILES for 6-methoxy-2-N-quinolin-6-ylpyridine-2,3-diamine is COc1ccc(N)c(Nc2ccc3ncccc3c2)n1.
What is the InChIKey of 6-methoxy-2-N-quinolin-6-ylpyridine-2,3-diamine?
The InChIKey is HOKHLGMMPBONSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O/c1-20-14-7-5-12(16)15(19-14)18-11-4-6-13-10(9-11)3-2-8-17-13/h2-9H,16H2,1H3,(H,18,19).
What are the key properties of 6-methoxy-2-N-quinolin-6-ylpyridine-2,3-diamine?
6-methoxy-2-N-quinolin-6-ylpyridine-2,3-diamine has a molecular weight of 266.30 g/mol, XLogP of 2.96, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-N-quinolin-6-ylpyridine-2,3-diamine is sourced from PubChem (CID 115320727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).