6-[2-methyl-6-(5-methyl-1,3-oxazol-2-yl)phenyl]-3-morpholin-4-ylquinolin-2-amine

C24H24N4O2 — CID 67326082

IUPAC6-[2-methyl-6-(5-methyl-1,3-oxazol-2-yl)phenyl]-3-morpholin-4-ylquinolin-2-amine
SMILESCc1cnc(-c2cccc(C)c2-c2ccc3nc(N)c(N4CCOCC4)cc3c2)o1
InChIInChI=1S/C24H24N4O2/c1-15-4-3-5-19(24-26-14-16(2)30-24)22(15)17-6-7-20-18(12-17)13-21(23(25)27-20)28-8-10-29-11-9-28/h3-7,12-14H,8-11H2,1-2H3,(H2,25,27)
InChIKeyNZBURWKMCXWLNI-UHFFFAOYSA-N
MW400.48 g/mol
LogP4.59
Rot. Bonds3

About 6-[2-methyl-6-(5-methyl-1,3-oxazol-2-yl)phenyl]-3-morpholin-4-ylquinolin-2-amine

6-[2-methyl-6-(5-methyl-1,3-oxazol-2-yl)phenyl]-3-morpholin-4-ylquinolin-2-amine (PubChem CID 67326082) has the molecular formula C24H24N4O2 and a molecular weight of 400.48 g/mol. Its IUPAC name is 6-[2-methyl-6-(5-methyl-1,3-oxazol-2-yl)phenyl]-3-morpholin-4-ylquinolin-2-amine.

Molecular Properties

Compound Name6-[2-methyl-6-(5-methyl-1,3-oxazol-2-yl)phenyl]-3-morpholin-4-ylquinolin-2-amine
PubChem CID67326082
Molecular FormulaC24H24N4O2
Molecular Weight400.48 g/mol
Exact Mass400.19
IUPAC Name6-[2-methyl-6-(5-methyl-1,3-oxazol-2-yl)phenyl]-3-morpholin-4-ylquinolin-2-amine
SMILESCc1cnc(-c2cccc(C)c2-c2ccc3nc(N)c(N4CCOCC4)cc3c2)o1
InChIInChI=1S/C24H24N4O2/c1-15-4-3-5-19(24-26-14-16(2)30-24)22(15)17-6-7-20-18(12-17)13-21(23(25)27-20)28-8-10-29-11-9-28/h3-7,12-14H,8-11H2,1-2H3,(H2,25,27)
InChIKeyNZBURWKMCXWLNI-UHFFFAOYSA-N
XLogP4.59
TPSA77.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[2-methyl-6-(5-methyl-1,3-oxazol-2-yl)phenyl]-3-morpholin-4-ylquinolin-2-amine?
The IUPAC name of 6-[2-methyl-6-(5-methyl-1,3-oxazol-2-yl)phenyl]-3-morpholin-4-ylquinolin-2-amine (CID 67326082) is 6-[2-methyl-6-(5-methyl-1,3-oxazol-2-yl)phenyl]-3-morpholin-4-ylquinolin-2-amine.
What is the SMILES notation for 6-[2-methyl-6-(5-methyl-1,3-oxazol-2-yl)phenyl]-3-morpholin-4-ylquinolin-2-amine?
The canonical SMILES for 6-[2-methyl-6-(5-methyl-1,3-oxazol-2-yl)phenyl]-3-morpholin-4-ylquinolin-2-amine is Cc1cnc(-c2cccc(C)c2-c2ccc3nc(N)c(N4CCOCC4)cc3c2)o1.
What is the InChIKey of 6-[2-methyl-6-(5-methyl-1,3-oxazol-2-yl)phenyl]-3-morpholin-4-ylquinolin-2-amine?
The InChIKey is NZBURWKMCXWLNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O2/c1-15-4-3-5-19(24-26-14-16(2)30-24)22(15)17-6-7-20-18(12-17)13-21(23(25)27-20)28-8-10-29-11-9-28/h3-7,12-14H,8-11H2,1-2H3,(H2,25,27).
What are the key properties of 6-[2-methyl-6-(5-methyl-1,3-oxazol-2-yl)phenyl]-3-morpholin-4-ylquinolin-2-amine?
6-[2-methyl-6-(5-methyl-1,3-oxazol-2-yl)phenyl]-3-morpholin-4-ylquinolin-2-amine has a molecular weight of 400.48 g/mol, XLogP of 4.59, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-methyl-6-(5-methyl-1,3-oxazol-2-yl)phenyl]-3-morpholin-4-ylquinolin-2-amine is sourced from PubChem (CID 67326082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).