4-[4-(1-benzothiophen-2-yl)-2-ethyl-8-fluoro-3,4-dihydro-1H-isoquinolin-7-yl]morpholine

C23H25FN2OS — CID 68995320

IUPAC4-[4-(1-benzothiophen-2-yl)-2-ethyl-8-fluoro-3,4-dihydro-1H-isoquinolin-7-yl]morpholine
SMILESCCN1Cc2c(ccc(N3CCOCC3)c2F)C(c2cc3ccccc3s2)C1
InChIInChI=1S/C23H25FN2OS/c1-2-25-14-18(22-13-16-5-3-4-6-21(16)28-22)17-7-8-20(23(24)19(17)15-25)26-9-11-27-12-10-26/h3-8,13,18H,2,9-12,14-15H2,1H3
InChIKeyPGKQDDOQIQDXOR-UHFFFAOYSA-N
MW396.53 g/mol
LogP4.84
Rot. Bonds3

About 4-[4-(1-benzothiophen-2-yl)-2-ethyl-8-fluoro-3,4-dihydro-1H-isoquinolin-7-yl]morpholine

4-[4-(1-benzothiophen-2-yl)-2-ethyl-8-fluoro-3,4-dihydro-1H-isoquinolin-7-yl]morpholine (PubChem CID 68995320) has the molecular formula C23H25FN2OS and a molecular weight of 396.53 g/mol. Its IUPAC name is 4-[4-(1-benzothiophen-2-yl)-2-ethyl-8-fluoro-3,4-dihydro-1H-isoquinolin-7-yl]morpholine.

Molecular Properties

Compound Name4-[4-(1-benzothiophen-2-yl)-2-ethyl-8-fluoro-3,4-dihydro-1H-isoquinolin-7-yl]morpholine
PubChem CID68995320
Molecular FormulaC23H25FN2OS
Molecular Weight396.53 g/mol
Exact Mass396.17
IUPAC Name4-[4-(1-benzothiophen-2-yl)-2-ethyl-8-fluoro-3,4-dihydro-1H-isoquinolin-7-yl]morpholine
SMILESCCN1Cc2c(ccc(N3CCOCC3)c2F)C(c2cc3ccccc3s2)C1
InChIInChI=1S/C23H25FN2OS/c1-2-25-14-18(22-13-16-5-3-4-6-21(16)28-22)17-7-8-20(23(24)19(17)15-25)26-9-11-27-12-10-26/h3-8,13,18H,2,9-12,14-15H2,1H3
InChIKeyPGKQDDOQIQDXOR-UHFFFAOYSA-N
XLogP4.84
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.53
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-[4-(1-benzothiophen-2-yl)-2-ethyl-8-fluoro-3,4-dihydro-1H-isoquinolin-7-yl]morpholine with MolForge

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Related Compounds

4-(1-benzothiophen-2-yl)-2-ethyl-8-fluoro-7-pyridazin-3-yl-3,4-dihydro-1H-isoquinoline
CID 68994252
4-(1-benzothiophen-2-yl)-2-methyl-7-(piperidin-1-ylmethyl)-3,4-dihydro-1H-isoquinoline
CID 68999116
4-(2,8-dimethyl-4-naphthalen-2-yl-3,4-dihydro-1H-isoquinolin-7-yl)morpholine
CID 68994440
4-(1-benzothiophen-7-yl)-2-ethyl-8-fluoro-3,4-dihydro-1H-isoquinoline
CID 68995864
4-[4,6-bis(1-benzothiophen-2-yl)pyrimidin-2-yl]morpholine
CID 71481720
4-[4-(1-benzofuran-5-yl)-2-ethyl-3,4-dihydro-1H-isoquinolin-7-yl]morpholine
CID 68999423
4-(1-benzothiophen-6-yl)-2-methyl-7-morpholin-4-yl-3,4-dihydro-1H-isoquinolin-8-ol
CID 68995480
4-[4-(1-benzothiophen-6-yl)-8-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]morpholine
CID 68997345
3-(1-benzothiophen-2-yl)oxetane
CID 119082125
4-(1-benzothiophen-2-yl)-2-methyl-7-pyrimidin-4-yl-3,4-dihydro-1H-isoquinoline
CID 11602891
2-(8-amino-2-ethyl-3,4-dihydro-1H-isoquinolin-4-yl)phenol
CID 22386861
N-ethyl-3-fluoro-4-morpholin-4-ylaniline
CID 123788462

Frequently Asked Questions

What is the IUPAC name of 4-[4-(1-benzothiophen-2-yl)-2-ethyl-8-fluoro-3,4-dihydro-1H-isoquinolin-7-yl]morpholine?
The IUPAC name of 4-[4-(1-benzothiophen-2-yl)-2-ethyl-8-fluoro-3,4-dihydro-1H-isoquinolin-7-yl]morpholine (CID 68995320) is 4-[4-(1-benzothiophen-2-yl)-2-ethyl-8-fluoro-3,4-dihydro-1H-isoquinolin-7-yl]morpholine.
What is the SMILES notation for 4-[4-(1-benzothiophen-2-yl)-2-ethyl-8-fluoro-3,4-dihydro-1H-isoquinolin-7-yl]morpholine?
The canonical SMILES for 4-[4-(1-benzothiophen-2-yl)-2-ethyl-8-fluoro-3,4-dihydro-1H-isoquinolin-7-yl]morpholine is CCN1Cc2c(ccc(N3CCOCC3)c2F)C(c2cc3ccccc3s2)C1.
What is the InChIKey of 4-[4-(1-benzothiophen-2-yl)-2-ethyl-8-fluoro-3,4-dihydro-1H-isoquinolin-7-yl]morpholine?
The InChIKey is PGKQDDOQIQDXOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN2OS/c1-2-25-14-18(22-13-16-5-3-4-6-21(16)28-22)17-7-8-20(23(24)19(17)15-25)26-9-11-27-12-10-26/h3-8,13,18H,2,9-12,14-15H2,1H3.
What are the key properties of 4-[4-(1-benzothiophen-2-yl)-2-ethyl-8-fluoro-3,4-dihydro-1H-isoquinolin-7-yl]morpholine?
4-[4-(1-benzothiophen-2-yl)-2-ethyl-8-fluoro-3,4-dihydro-1H-isoquinolin-7-yl]morpholine has a molecular weight of 396.53 g/mol, XLogP of 4.84, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(1-benzothiophen-2-yl)-2-ethyl-8-fluoro-3,4-dihydro-1H-isoquinolin-7-yl]morpholine is sourced from PubChem (CID 68995320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).