(1-aminoisoquinolin-4-yl)-(2,6-dimethylmorpholin-4-yl)methanone

C16H19N3O2 — CID 106770126

IUPAC(1-aminoisoquinolin-4-yl)-(2,6-dimethylmorpholin-4-yl)methanone
SMILESCC1CN(C(=O)c2cnc(N)c3ccccc23)CC(C)O1
InChIInChI=1S/C16H19N3O2/c1-10-8-19(9-11(2)21-10)16(20)14-7-18-15(17)13-6-4-3-5-12(13)14/h3-7,10-11H,8-9H2,1-2H3,(H2,17,18)
InChIKeyBQNAUGSLQBXZRK-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.07
Rot. Bonds1

About (1-aminoisoquinolin-4-yl)-(2,6-dimethylmorpholin-4-yl)methanone

(1-aminoisoquinolin-4-yl)-(2,6-dimethylmorpholin-4-yl)methanone (PubChem CID 106770126) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is (1-aminoisoquinolin-4-yl)-(2,6-dimethylmorpholin-4-yl)methanone.

Molecular Properties

Compound Name(1-aminoisoquinolin-4-yl)-(2,6-dimethylmorpholin-4-yl)methanone
PubChem CID106770126
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name(1-aminoisoquinolin-4-yl)-(2,6-dimethylmorpholin-4-yl)methanone
SMILESCC1CN(C(=O)c2cnc(N)c3ccccc23)CC(C)O1
InChIInChI=1S/C16H19N3O2/c1-10-8-19(9-11(2)21-10)16(20)14-7-18-15(17)13-6-4-3-5-12(13)14/h3-7,10-11H,8-9H2,1-2H3,(H2,17,18)
InChIKeyBQNAUGSLQBXZRK-UHFFFAOYSA-N
XLogP2.07
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (1-aminoisoquinolin-4-yl)-(2,6-dimethylmorpholin-4-yl)methanone with MolForge

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Related Compounds

[2-[2-(2,6-dimethylmorpholine-4-carbonyl)phenyl]phenyl]-(2,6-dimethylmorpholin-4-yl)methanone
CID 23968528
(2-chlorophenyl)-(2,6-dimethylmorpholin-4-yl)methanone
CID 3516702
(4-amino-3-pyridinyl)-(2,6-dimethylmorpholin-4-yl)methanone
CID 81236152
[(2S,6S)-2,6-dimethylmorpholin-4-yl]-(2-methylsulfanyl-3-pyridinyl)methanone
CID 39902934
(5-amino-1H-pyrazol-4-yl)-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone
CID 104959820
4-(1-aminoisoquinoline-4-carbonyl)-3-methylpiperazin-2-one
CID 106771878
(2-amino-3-chlorophenyl)-(2,6-dimethylmorpholin-4-yl)methanone
CID 113331638
(3-amino-2-chlorophenyl)-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone
CID 104957666
(4-amino-2-chlorophenyl)-(2,6-dimethylmorpholin-4-yl)methanone
CID 16775580
[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-naphthalen-1-ylmethanone
CID 102934601
(2,6-dimethylmorpholin-4-yl)-(2-phenylquinolin-4-yl)methanone
CID 2873550
[(2S,6S)-2,6-dimethylmorpholin-4-yl]-quinoxalin-2-ylmethanone
CID 39952041

Frequently Asked Questions

What is the IUPAC name of (1-aminoisoquinolin-4-yl)-(2,6-dimethylmorpholin-4-yl)methanone?
The IUPAC name of (1-aminoisoquinolin-4-yl)-(2,6-dimethylmorpholin-4-yl)methanone (CID 106770126) is (1-aminoisoquinolin-4-yl)-(2,6-dimethylmorpholin-4-yl)methanone.
What is the SMILES notation for (1-aminoisoquinolin-4-yl)-(2,6-dimethylmorpholin-4-yl)methanone?
The canonical SMILES for (1-aminoisoquinolin-4-yl)-(2,6-dimethylmorpholin-4-yl)methanone is CC1CN(C(=O)c2cnc(N)c3ccccc23)CC(C)O1.
What is the InChIKey of (1-aminoisoquinolin-4-yl)-(2,6-dimethylmorpholin-4-yl)methanone?
The InChIKey is BQNAUGSLQBXZRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-10-8-19(9-11(2)21-10)16(20)14-7-18-15(17)13-6-4-3-5-12(13)14/h3-7,10-11H,8-9H2,1-2H3,(H2,17,18).
What are the key properties of (1-aminoisoquinolin-4-yl)-(2,6-dimethylmorpholin-4-yl)methanone?
(1-aminoisoquinolin-4-yl)-(2,6-dimethylmorpholin-4-yl)methanone has a molecular weight of 285.35 g/mol, XLogP of 2.07, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-aminoisoquinolin-4-yl)-(2,6-dimethylmorpholin-4-yl)methanone is sourced from PubChem (CID 106770126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).