[1-(methylamino)isoquinolin-4-yl]-morpholin-4-ylmethanone

C15H17N3O2 — CID 106770053

IUPAC[1-(methylamino)isoquinolin-4-yl]-morpholin-4-ylmethanone
SMILESCNc1ncc(C(=O)N2CCOCC2)c2ccccc12
InChIInChI=1S/C15H17N3O2/c1-16-14-12-5-3-2-4-11(12)13(10-17-14)15(19)18-6-8-20-9-7-18/h2-5,10H,6-9H2,1H3,(H,16,17)
InChIKeyMQBFMWSTMSSFRF-UHFFFAOYSA-N
MW271.32 g/mol
LogP1.75
Rot. Bonds2

About [1-(methylamino)isoquinolin-4-yl]-morpholin-4-ylmethanone

[1-(methylamino)isoquinolin-4-yl]-morpholin-4-ylmethanone (PubChem CID 106770053) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is [1-(methylamino)isoquinolin-4-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[1-(methylamino)isoquinolin-4-yl]-morpholin-4-ylmethanone
PubChem CID106770053
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name[1-(methylamino)isoquinolin-4-yl]-morpholin-4-ylmethanone
SMILESCNc1ncc(C(=O)N2CCOCC2)c2ccccc12
InChIInChI=1S/C15H17N3O2/c1-16-14-12-5-3-2-4-11(12)13(10-17-14)15(19)18-6-8-20-9-7-18/h2-5,10H,6-9H2,1H3,(H,16,17)
InChIKeyMQBFMWSTMSSFRF-UHFFFAOYSA-N
XLogP1.75
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [1-(methylamino)isoquinolin-4-yl]-morpholin-4-ylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[1-(3,5-dichloroanilino)isoquinolin-4-yl]-morpholin-4-ylmethanone
CID 56960201
morpholin-4-yl-(1-morpholin-4-ylisoquinolin-4-yl)methanone
CID 46360302
[5-bromo-2-(methylamino)-3-pyridinyl]-(1,4-oxazepan-4-yl)methanone
CID 62967667
morpholin-4-yl-[1-(4-pyridin-2-ylpiperazin-1-yl)isoquinolin-4-yl]methanone
CID 15992231
[4-(2,6-dimethylanilino)quinolin-3-yl]-morpholin-4-ylmethanone
CID 53001478
3-[[5-methyl-4-(morpholine-4-carbonyl)isoquinolin-1-yl]amino]benzoic acid
CID 71186139
(1-hydrazinylisoquinolin-4-yl)-(4-hydroxypiperidin-1-yl)methanone
CID 106773752
[2-(methylamino)quinolin-4-yl]-(1,4-oxazepan-4-yl)methanone
CID 62968729
4-(morpholine-4-carbonyl)isochromen-1-one
CID 10467730
[4-(2-ethylanilino)quinolin-3-yl]-morpholin-4-ylmethanone
CID 53001473
1H-indol-3-yl(morpholin-4-yl)methanone
CID 1481812
(3,4-dihydroxypyrrolidin-1-yl)-(1-hydrazinylisoquinolin-4-yl)methanone
CID 106774564

Frequently Asked Questions

What is the IUPAC name of [1-(methylamino)isoquinolin-4-yl]-morpholin-4-ylmethanone?
The IUPAC name of [1-(methylamino)isoquinolin-4-yl]-morpholin-4-ylmethanone (CID 106770053) is [1-(methylamino)isoquinolin-4-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [1-(methylamino)isoquinolin-4-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [1-(methylamino)isoquinolin-4-yl]-morpholin-4-ylmethanone is CNc1ncc(C(=O)N2CCOCC2)c2ccccc12.
What is the InChIKey of [1-(methylamino)isoquinolin-4-yl]-morpholin-4-ylmethanone?
The InChIKey is MQBFMWSTMSSFRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-16-14-12-5-3-2-4-11(12)13(10-17-14)15(19)18-6-8-20-9-7-18/h2-5,10H,6-9H2,1H3,(H,16,17).
What are the key properties of [1-(methylamino)isoquinolin-4-yl]-morpholin-4-ylmethanone?
[1-(methylamino)isoquinolin-4-yl]-morpholin-4-ylmethanone has a molecular weight of 271.32 g/mol, XLogP of 1.75, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(methylamino)isoquinolin-4-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 106770053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).