6-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)-3-(1,3,4-oxadiazol-2-yl)quinolin-4-amine

C24H25N5O3 — CID 152715282

IUPAC6-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)-3-(1,3,4-oxadiazol-2-yl)quinolin-4-amine
SMILESCOc1ccc(-c2ccc3ncc(-c4nnco4)c(NCCN4CCOCC4)c3c2)cc1
InChIInChI=1S/C24H25N5O3/c1-30-19-5-2-17(3-6-19)18-4-7-22-20(14-18)23(21(15-26-22)24-28-27-16-32-24)25-8-9-29-10-12-31-13-11-29/h2-7,14-16H,8-13H2,1H3,(H,25,26)
InChIKeyZULUSTSDTGRRFJ-UHFFFAOYSA-N
MW431.50 g/mol
LogP3.70
Rot. Bonds7

About 6-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)-3-(1,3,4-oxadiazol-2-yl)quinolin-4-amine

6-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)-3-(1,3,4-oxadiazol-2-yl)quinolin-4-amine (PubChem CID 152715282) has the molecular formula C24H25N5O3 and a molecular weight of 431.50 g/mol. Its IUPAC name is 6-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)-3-(1,3,4-oxadiazol-2-yl)quinolin-4-amine.

Molecular Properties

Compound Name6-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)-3-(1,3,4-oxadiazol-2-yl)quinolin-4-amine
PubChem CID152715282
Molecular FormulaC24H25N5O3
Molecular Weight431.50 g/mol
Exact Mass431.20
IUPAC Name6-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)-3-(1,3,4-oxadiazol-2-yl)quinolin-4-amine
SMILESCOc1ccc(-c2ccc3ncc(-c4nnco4)c(NCCN4CCOCC4)c3c2)cc1
InChIInChI=1S/C24H25N5O3/c1-30-19-5-2-17(3-6-19)18-4-7-22-20(14-18)23(21(15-26-22)24-28-27-16-32-24)25-8-9-29-10-12-31-13-11-29/h2-7,14-16H,8-13H2,1H3,(H,25,26)
InChIKeyZULUSTSDTGRRFJ-UHFFFAOYSA-N
XLogP3.70
TPSA85.54 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.50
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)-3-(1,3,4-oxadiazol-2-yl)quinolin-4-amine?
The IUPAC name of 6-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)-3-(1,3,4-oxadiazol-2-yl)quinolin-4-amine (CID 152715282) is 6-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)-3-(1,3,4-oxadiazol-2-yl)quinolin-4-amine.
What is the SMILES notation for 6-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)-3-(1,3,4-oxadiazol-2-yl)quinolin-4-amine?
The canonical SMILES for 6-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)-3-(1,3,4-oxadiazol-2-yl)quinolin-4-amine is COc1ccc(-c2ccc3ncc(-c4nnco4)c(NCCN4CCOCC4)c3c2)cc1.
What is the InChIKey of 6-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)-3-(1,3,4-oxadiazol-2-yl)quinolin-4-amine?
The InChIKey is ZULUSTSDTGRRFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O3/c1-30-19-5-2-17(3-6-19)18-4-7-22-20(14-18)23(21(15-26-22)24-28-27-16-32-24)25-8-9-29-10-12-31-13-11-29/h2-7,14-16H,8-13H2,1H3,(H,25,26).
What are the key properties of 6-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)-3-(1,3,4-oxadiazol-2-yl)quinolin-4-amine?
6-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)-3-(1,3,4-oxadiazol-2-yl)quinolin-4-amine has a molecular weight of 431.50 g/mol, XLogP of 3.70, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)-3-(1,3,4-oxadiazol-2-yl)quinolin-4-amine is sourced from PubChem (CID 152715282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).