4-(3-isoquinolin-8-ylpropyl)morpholine

C16H20N2O — CID 170870005

IUPAC4-(3-isoquinolin-8-ylpropyl)morpholine
SMILESc1cc(CCCN2CCOCC2)c2cnccc2c1
InChIInChI=1S/C16H20N2O/c1-3-14(16-13-17-7-6-15(16)4-1)5-2-8-18-9-11-19-12-10-18/h1,3-4,6-7,13H,2,5,8-12H2
InChIKeyLHBQLDDUMPJKMN-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.50
Rot. Bonds4

About 4-(3-isoquinolin-8-ylpropyl)morpholine

4-(3-isoquinolin-8-ylpropyl)morpholine (PubChem CID 170870005) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is 4-(3-isoquinolin-8-ylpropyl)morpholine.

Molecular Properties

Compound Name4-(3-isoquinolin-8-ylpropyl)morpholine
PubChem CID170870005
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name4-(3-isoquinolin-8-ylpropyl)morpholine
SMILESc1cc(CCCN2CCOCC2)c2cnccc2c1
InChIInChI=1S/C16H20N2O/c1-3-14(16-13-17-7-6-15(16)4-1)5-2-8-18-9-11-19-12-10-18/h1,3-4,6-7,13H,2,5,8-12H2
InChIKeyLHBQLDDUMPJKMN-UHFFFAOYSA-N
XLogP2.50
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[3-[3-(3-morpholin-4-ylpropyl)naphthalen-2-yl]propyl]morpholine
CID 170869299
4-[3-(4-ethynyl-3-pyridinyl)propyl]morpholine
CID 142566582
4-[3-(1-methylindol-4-yl)propyl]morpholine
CID 170870710
4-isoquinolin-8-ylbutan-1-amine
CID 82577641
4-(3-pyrimidin-2-ylpropyl)morpholine
CID 170871392
2-(4-morpholin-4-ylbutyl)phenol
CID 142043469
4-[3-[2-[4-[2-(3-morpholin-4-ylpropyl)phenyl]piperazin-1-yl]phenyl]propyl]morpholine
CID 170869798
4-(3-pyrimidin-4-ylpropyl)morpholine
CID 170871346
4-[3-(2-pyrazol-1-ylphenyl)propyl]morpholine
CID 170869917
4-[3-(2,3-dihydro-1H-indol-7-yl)propyl]morpholine
CID 115105401
4-[3-[2-(3-morpholin-4-ylpropoxy)phenyl]propyl]morpholine
CID 170869645
4-[3-[12-(3-morpholin-4-ylpropyl)tetracen-5-yl]propyl]morpholine
CID 170870035

Frequently Asked Questions

What is the IUPAC name of 4-(3-isoquinolin-8-ylpropyl)morpholine?
The IUPAC name of 4-(3-isoquinolin-8-ylpropyl)morpholine (CID 170870005) is 4-(3-isoquinolin-8-ylpropyl)morpholine.
What is the SMILES notation for 4-(3-isoquinolin-8-ylpropyl)morpholine?
The canonical SMILES for 4-(3-isoquinolin-8-ylpropyl)morpholine is c1cc(CCCN2CCOCC2)c2cnccc2c1.
What is the InChIKey of 4-(3-isoquinolin-8-ylpropyl)morpholine?
The InChIKey is LHBQLDDUMPJKMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-3-14(16-13-17-7-6-15(16)4-1)5-2-8-18-9-11-19-12-10-18/h1,3-4,6-7,13H,2,5,8-12H2.
What are the key properties of 4-(3-isoquinolin-8-ylpropyl)morpholine?
4-(3-isoquinolin-8-ylpropyl)morpholine has a molecular weight of 256.35 g/mol, XLogP of 2.50, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-isoquinolin-8-ylpropyl)morpholine is sourced from PubChem (CID 170870005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).