7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-4-N-[2-(6-methyl-2-pyridinyl)ethyl]quinoline-3,4-diamine

C23H25N5O2 — CID 122705107

IUPAC7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-4-N-[2-(6-methyl-2-pyridinyl)ethyl]quinoline-3,4-diamine
SMILESCOc1cc2c(NCCc3cccc(C)n3)c(N)cnc2cc1-c1c(C)noc1C
InChIInChI=1S/C23H25N5O2/c1-13-6-5-7-16(27-13)8-9-25-23-17-11-21(29-4)18(10-20(17)26-12-19(23)24)22-14(2)28-30-15(22)3/h5-7,10-12H,8-9,24H2,1-4H3,(H,25,26)
InChIKeyHKXBHZGDTGVTSZ-UHFFFAOYSA-N
MW403.49 g/mol
LogP4.46
Rot. Bonds6

About 7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-4-N-[2-(6-methyl-2-pyridinyl)ethyl]quinoline-3,4-diamine

7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-4-N-[2-(6-methyl-2-pyridinyl)ethyl]quinoline-3,4-diamine (PubChem CID 122705107) has the molecular formula C23H25N5O2 and a molecular weight of 403.49 g/mol. Its IUPAC name is 7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-4-N-[2-(6-methyl-2-pyridinyl)ethyl]quinoline-3,4-diamine.

Molecular Properties

Compound Name7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-4-N-[2-(6-methyl-2-pyridinyl)ethyl]quinoline-3,4-diamine
PubChem CID122705107
Molecular FormulaC23H25N5O2
Molecular Weight403.49 g/mol
Exact Mass403.20
IUPAC Name7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-4-N-[2-(6-methyl-2-pyridinyl)ethyl]quinoline-3,4-diamine
SMILESCOc1cc2c(NCCc3cccc(C)n3)c(N)cnc2cc1-c1c(C)noc1C
InChIInChI=1S/C23H25N5O2/c1-13-6-5-7-16(27-13)8-9-25-23-17-11-21(29-4)18(10-20(17)26-12-19(23)24)22-14(2)28-30-15(22)3/h5-7,10-12H,8-9,24H2,1-4H3,(H,25,26)
InChIKeyHKXBHZGDTGVTSZ-UHFFFAOYSA-N
XLogP4.46
TPSA99.09 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.49
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-4-N-[2-(6-methyl-2-pyridinyl)ethyl]quinoline-3,4-diamine?
The IUPAC name of 7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-4-N-[2-(6-methyl-2-pyridinyl)ethyl]quinoline-3,4-diamine (CID 122705107) is 7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-4-N-[2-(6-methyl-2-pyridinyl)ethyl]quinoline-3,4-diamine.
What is the SMILES notation for 7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-4-N-[2-(6-methyl-2-pyridinyl)ethyl]quinoline-3,4-diamine?
The canonical SMILES for 7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-4-N-[2-(6-methyl-2-pyridinyl)ethyl]quinoline-3,4-diamine is COc1cc2c(NCCc3cccc(C)n3)c(N)cnc2cc1-c1c(C)noc1C.
What is the InChIKey of 7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-4-N-[2-(6-methyl-2-pyridinyl)ethyl]quinoline-3,4-diamine?
The InChIKey is HKXBHZGDTGVTSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O2/c1-13-6-5-7-16(27-13)8-9-25-23-17-11-21(29-4)18(10-20(17)26-12-19(23)24)22-14(2)28-30-15(22)3/h5-7,10-12H,8-9,24H2,1-4H3,(H,25,26).
What are the key properties of 7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-4-N-[2-(6-methyl-2-pyridinyl)ethyl]quinoline-3,4-diamine?
7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-4-N-[2-(6-methyl-2-pyridinyl)ethyl]quinoline-3,4-diamine has a molecular weight of 403.49 g/mol, XLogP of 4.46, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-4-N-[2-(6-methyl-2-pyridinyl)ethyl]quinoline-3,4-diamine is sourced from PubChem (CID 122705107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).