6-[3-[(3-methoxyquinolin-8-yl)amino]phenyl]-6-methylmorpholin-2-amine

C21H24N4O2 — CID 70558068

IUPAC6-[3-[(3-methoxyquinolin-8-yl)amino]phenyl]-6-methylmorpholin-2-amine
SMILESCOc1cnc2c(Nc3cccc(C4(C)CNCC(N)O4)c3)cccc2c1
InChIInChI=1S/C21H24N4O2/c1-21(13-23-12-19(22)27-21)15-6-4-7-16(10-15)25-18-8-3-5-14-9-17(26-2)11-24-20(14)18/h3-11,19,23,25H,12-13,22H2,1-2H3
InChIKeyDVPKCBYQGWLBFU-UHFFFAOYSA-N
MW364.45 g/mol
LogP3.11
Rot. Bonds4

About 6-[3-[(3-methoxyquinolin-8-yl)amino]phenyl]-6-methylmorpholin-2-amine

6-[3-[(3-methoxyquinolin-8-yl)amino]phenyl]-6-methylmorpholin-2-amine (PubChem CID 70558068) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is 6-[3-[(3-methoxyquinolin-8-yl)amino]phenyl]-6-methylmorpholin-2-amine.

Molecular Properties

Compound Name6-[3-[(3-methoxyquinolin-8-yl)amino]phenyl]-6-methylmorpholin-2-amine
PubChem CID70558068
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC Name6-[3-[(3-methoxyquinolin-8-yl)amino]phenyl]-6-methylmorpholin-2-amine
SMILESCOc1cnc2c(Nc3cccc(C4(C)CNCC(N)O4)c3)cccc2c1
InChIInChI=1S/C21H24N4O2/c1-21(13-23-12-19(22)27-21)15-6-4-7-16(10-15)25-18-8-3-5-14-9-17(26-2)11-24-20(14)18/h3-11,19,23,25H,12-13,22H2,1-2H3
InChIKeyDVPKCBYQGWLBFU-UHFFFAOYSA-N
XLogP3.11
TPSA81.43 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 53.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[3-[(3-methoxyquinolin-8-yl)amino]phenyl]-6-methylmorpholin-2-amine?
The IUPAC name of 6-[3-[(3-methoxyquinolin-8-yl)amino]phenyl]-6-methylmorpholin-2-amine (CID 70558068) is 6-[3-[(3-methoxyquinolin-8-yl)amino]phenyl]-6-methylmorpholin-2-amine.
What is the SMILES notation for 6-[3-[(3-methoxyquinolin-8-yl)amino]phenyl]-6-methylmorpholin-2-amine?
The canonical SMILES for 6-[3-[(3-methoxyquinolin-8-yl)amino]phenyl]-6-methylmorpholin-2-amine is COc1cnc2c(Nc3cccc(C4(C)CNCC(N)O4)c3)cccc2c1.
What is the InChIKey of 6-[3-[(3-methoxyquinolin-8-yl)amino]phenyl]-6-methylmorpholin-2-amine?
The InChIKey is DVPKCBYQGWLBFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2/c1-21(13-23-12-19(22)27-21)15-6-4-7-16(10-15)25-18-8-3-5-14-9-17(26-2)11-24-20(14)18/h3-11,19,23,25H,12-13,22H2,1-2H3.
What are the key properties of 6-[3-[(3-methoxyquinolin-8-yl)amino]phenyl]-6-methylmorpholin-2-amine?
6-[3-[(3-methoxyquinolin-8-yl)amino]phenyl]-6-methylmorpholin-2-amine has a molecular weight of 364.45 g/mol, XLogP of 3.11, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-[(3-methoxyquinolin-8-yl)amino]phenyl]-6-methylmorpholin-2-amine is sourced from PubChem (CID 70558068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).