6-[2-(2,2-dimethylpropoxy)phenyl]-3-morpholin-4-ylquinolin-2-amine

C24H29N3O2 — CID 53329887

IUPAC6-[2-(2,2-dimethylpropoxy)phenyl]-3-morpholin-4-ylquinolin-2-amine
SMILESCC(C)(C)COc1ccccc1-c1ccc2nc(N)c(N3CCOCC3)cc2c1
InChIInChI=1S/C24H29N3O2/c1-24(2,3)16-29-22-7-5-4-6-19(22)17-8-9-20-18(14-17)15-21(23(25)26-20)27-10-12-28-13-11-27/h4-9,14-15H,10-13,16H2,1-3H3,(H2,25,26)
InChIKeyQRDHWWWEHHROCV-UHFFFAOYSA-N
MW391.52 g/mol
LogP4.75
Rot. Bonds4

About 6-[2-(2,2-dimethylpropoxy)phenyl]-3-morpholin-4-ylquinolin-2-amine

6-[2-(2,2-dimethylpropoxy)phenyl]-3-morpholin-4-ylquinolin-2-amine (PubChem CID 53329887) has the molecular formula C24H29N3O2 and a molecular weight of 391.52 g/mol. Its IUPAC name is 6-[2-(2,2-dimethylpropoxy)phenyl]-3-morpholin-4-ylquinolin-2-amine.

Molecular Properties

Compound Name6-[2-(2,2-dimethylpropoxy)phenyl]-3-morpholin-4-ylquinolin-2-amine
PubChem CID53329887
Molecular FormulaC24H29N3O2
Molecular Weight391.52 g/mol
Exact Mass391.23
IUPAC Name6-[2-(2,2-dimethylpropoxy)phenyl]-3-morpholin-4-ylquinolin-2-amine
SMILESCC(C)(C)COc1ccccc1-c1ccc2nc(N)c(N3CCOCC3)cc2c1
InChIInChI=1S/C24H29N3O2/c1-24(2,3)16-29-22-7-5-4-6-19(22)17-8-9-20-18(14-17)15-21(23(25)26-20)27-10-12-28-13-11-27/h4-9,14-15H,10-13,16H2,1-3H3,(H2,25,26)
InChIKeyQRDHWWWEHHROCV-UHFFFAOYSA-N
XLogP4.75
TPSA60.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.52
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-[2-(3,3-dimethylbut-1-ynyl)phenyl]-3-morpholin-4-ylquinolin-2-amine
CID 67347348
3-morpholin-4-yl-6-phenylquinolin-2-amine
CID 173067500
6-[2-methyl-6-(3-methylphenyl)phenyl]-3-morpholin-4-ylquinolin-2-amine
CID 71260946
6-[2-methyl-6-(oxolan-3-yloxy)phenyl]-3-morpholin-4-ylquinolin-2-amine
CID 53329890
3-morpholin-4-ylquinolin-2-amine
CID 67346064
[2-[2-(2-amino-3-morpholin-4-ylquinolin-6-yl)phenyl]oxan-4-yl]methanol
CID 90309198
6-[2-(3,3-dimethylbut-1-ynyl)-6-methylphenyl]-3-morpholin-4-ylquinolin-2-amine
CID 53329537
N-[2-(2-amino-3-morpholin-4-ylquinolin-6-yl)-3-methylphenyl]-N,3,3-trimethylbutanamide
CID 53329886
[2-(2-amino-3-morpholin-4-ylquinolin-6-yl)-3-methylphenyl]-(3-methyl-2-pyridinyl)methanone
CID 71253478
6-[2-methyl-6-[nitroso(phenyl)methyl]phenyl]-3-morpholin-4-ylquinolin-2-amine
CID 123721880
6-[2-(benzenecarboximidoyl)-6-methylphenyl]-3-morpholin-4-ylquinolin-2-amine
CID 86676838
[2-(2-amino-3-morpholin-4-ylquinolin-6-yl)-3-(3,3-dimethylbutyl)phenyl]-[(3R)-3-fluoropyrrolidin-1-yl]methanone
CID 53329716

Frequently Asked Questions

What is the IUPAC name of 6-[2-(2,2-dimethylpropoxy)phenyl]-3-morpholin-4-ylquinolin-2-amine?
The IUPAC name of 6-[2-(2,2-dimethylpropoxy)phenyl]-3-morpholin-4-ylquinolin-2-amine (CID 53329887) is 6-[2-(2,2-dimethylpropoxy)phenyl]-3-morpholin-4-ylquinolin-2-amine.
What is the SMILES notation for 6-[2-(2,2-dimethylpropoxy)phenyl]-3-morpholin-4-ylquinolin-2-amine?
The canonical SMILES for 6-[2-(2,2-dimethylpropoxy)phenyl]-3-morpholin-4-ylquinolin-2-amine is CC(C)(C)COc1ccccc1-c1ccc2nc(N)c(N3CCOCC3)cc2c1.
What is the InChIKey of 6-[2-(2,2-dimethylpropoxy)phenyl]-3-morpholin-4-ylquinolin-2-amine?
The InChIKey is QRDHWWWEHHROCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O2/c1-24(2,3)16-29-22-7-5-4-6-19(22)17-8-9-20-18(14-17)15-21(23(25)26-20)27-10-12-28-13-11-27/h4-9,14-15H,10-13,16H2,1-3H3,(H2,25,26).
What are the key properties of 6-[2-(2,2-dimethylpropoxy)phenyl]-3-morpholin-4-ylquinolin-2-amine?
6-[2-(2,2-dimethylpropoxy)phenyl]-3-morpholin-4-ylquinolin-2-amine has a molecular weight of 391.52 g/mol, XLogP of 4.75, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(2,2-dimethylpropoxy)phenyl]-3-morpholin-4-ylquinolin-2-amine is sourced from PubChem (CID 53329887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).