2-[4-[(3-amino-6-morpholin-4-ylquinolin-4-yl)methyl]phenyl]-2-methylpropanenitrile

C24H26N4O — CID 67391675

IUPAC2-[4-[(3-amino-6-morpholin-4-ylquinolin-4-yl)methyl]phenyl]-2-methylpropanenitrile
SMILESCC(C)(C#N)c1ccc(Cc2c(N)cnc3ccc(N4CCOCC4)cc23)cc1
InChIInChI=1S/C24H26N4O/c1-24(2,16-25)18-5-3-17(4-6-18)13-20-21-14-19(28-9-11-29-12-10-28)7-8-23(21)27-15-22(20)26/h3-8,14-15H,9-13,26H2,1-2H3
InChIKeyMLOFBQLNSKUDET-UHFFFAOYSA-N
MW386.50 g/mol
LogP4.05
Rot. Bonds4

About 2-[4-[(3-amino-6-morpholin-4-ylquinolin-4-yl)methyl]phenyl]-2-methylpropanenitrile

2-[4-[(3-amino-6-morpholin-4-ylquinolin-4-yl)methyl]phenyl]-2-methylpropanenitrile (PubChem CID 67391675) has the molecular formula C24H26N4O and a molecular weight of 386.50 g/mol. Its IUPAC name is 2-[4-[(3-amino-6-morpholin-4-ylquinolin-4-yl)methyl]phenyl]-2-methylpropanenitrile.

Molecular Properties

Compound Name2-[4-[(3-amino-6-morpholin-4-ylquinolin-4-yl)methyl]phenyl]-2-methylpropanenitrile
PubChem CID67391675
Molecular FormulaC24H26N4O
Molecular Weight386.50 g/mol
Exact Mass386.21
IUPAC Name2-[4-[(3-amino-6-morpholin-4-ylquinolin-4-yl)methyl]phenyl]-2-methylpropanenitrile
SMILESCC(C)(C#N)c1ccc(Cc2c(N)cnc3ccc(N4CCOCC4)cc23)cc1
InChIInChI=1S/C24H26N4O/c1-24(2,16-25)18-5-3-17(4-6-18)13-20-21-14-19(28-9-11-29-12-10-28)7-8-23(21)27-15-22(20)26/h3-8,14-15H,9-13,26H2,1-2H3
InChIKeyMLOFBQLNSKUDET-UHFFFAOYSA-N
XLogP4.05
TPSA75.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3-amino-6-morpholin-4-ylquinolin-4-yl)methyl]phenyl]-2-methylpropanenitrile?
The IUPAC name of 2-[4-[(3-amino-6-morpholin-4-ylquinolin-4-yl)methyl]phenyl]-2-methylpropanenitrile (CID 67391675) is 2-[4-[(3-amino-6-morpholin-4-ylquinolin-4-yl)methyl]phenyl]-2-methylpropanenitrile.
What is the SMILES notation for 2-[4-[(3-amino-6-morpholin-4-ylquinolin-4-yl)methyl]phenyl]-2-methylpropanenitrile?
The canonical SMILES for 2-[4-[(3-amino-6-morpholin-4-ylquinolin-4-yl)methyl]phenyl]-2-methylpropanenitrile is CC(C)(C#N)c1ccc(Cc2c(N)cnc3ccc(N4CCOCC4)cc23)cc1.
What is the InChIKey of 2-[4-[(3-amino-6-morpholin-4-ylquinolin-4-yl)methyl]phenyl]-2-methylpropanenitrile?
The InChIKey is MLOFBQLNSKUDET-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O/c1-24(2,16-25)18-5-3-17(4-6-18)13-20-21-14-19(28-9-11-29-12-10-28)7-8-23(21)27-15-22(20)26/h3-8,14-15H,9-13,26H2,1-2H3.
What are the key properties of 2-[4-[(3-amino-6-morpholin-4-ylquinolin-4-yl)methyl]phenyl]-2-methylpropanenitrile?
2-[4-[(3-amino-6-morpholin-4-ylquinolin-4-yl)methyl]phenyl]-2-methylpropanenitrile has a molecular weight of 386.50 g/mol, XLogP of 4.05, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3-amino-6-morpholin-4-ylquinolin-4-yl)methyl]phenyl]-2-methylpropanenitrile is sourced from PubChem (CID 67391675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).