(4S)-5-methoxy-4-pyrrolidin-1-yl-1,2,3,4-tetrahydroisoquinoline

C14H20N2O — CID 9169184

IUPAC(4S)-5-methoxy-4-pyrrolidin-1-yl-1,2,3,4-tetrahydroisoquinoline
SMILESCOc1cccc2c1[C@H](N1CCCC1)CNC2
InChIInChI=1S/C14H20N2O/c1-17-13-6-4-5-11-9-15-10-12(14(11)13)16-7-2-3-8-16/h4-6,12,15H,2-3,7-10H2,1H3/t12-/m1/s1
InChIKeyUORQVYVUUALIDB-GFCCVEGCSA-N
MW232.33 g/mol
LogP1.94
Rot. Bonds2

About (4S)-5-methoxy-4-pyrrolidin-1-yl-1,2,3,4-tetrahydroisoquinoline

(4S)-5-methoxy-4-pyrrolidin-1-yl-1,2,3,4-tetrahydroisoquinoline (PubChem CID 9169184) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is (4S)-5-methoxy-4-pyrrolidin-1-yl-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name(4S)-5-methoxy-4-pyrrolidin-1-yl-1,2,3,4-tetrahydroisoquinoline
PubChem CID9169184
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name(4S)-5-methoxy-4-pyrrolidin-1-yl-1,2,3,4-tetrahydroisoquinoline
SMILESCOc1cccc2c1[C@H](N1CCCC1)CNC2
InChIInChI=1S/C14H20N2O/c1-17-13-6-4-5-11-9-15-10-12(14(11)13)16-7-2-3-8-16/h4-6,12,15H,2-3,7-10H2,1H3/t12-/m1/s1
InChIKeyUORQVYVUUALIDB-GFCCVEGCSA-N
XLogP1.94
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (4S)-5-methoxy-4-pyrrolidin-1-yl-1,2,3,4-tetrahydroisoquinoline with MolForge

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Related Compounds

4-[(4R)-5-methoxy-1,2,3,4-tetrahydroisoquinolin-4-yl]morpholine
CID 9169145
(4R)-4-(azepan-1-yl)-5,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline
CID 9169849
(4R)-5-fluoro-4-piperidin-1-yl-1,2,3,4-tetrahydroisoquinoline
CID 9168839
(4R)-5-fluoro-4-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydroisoquinoline
CID 9168791
4-[(4S)-5,8-dimethoxy-1,2,3,4-tetrahydroisoquinolin-4-yl]morpholine
CID 9169870
(4S)-7-fluoro-4-pyrrolidin-1-yl-1,2,3,4-tetrahydroisoquinoline
CID 9169066
N-(2-methoxyphenyl)-4-methyl-1,2,3,4-tetrahydroisoquinolin-5-amine
CID 82583117
(4R)-7-methyl-4-pyrrolidin-1-yl-1,2,3,4-tetrahydroisoquinoline
CID 9170495
(4S)-7-fluoro-4-piperidin-1-yl-1,2,3,4-tetrahydroisoquinoline
CID 9169081
4-(azetidin-1-yl)-5-methoxy-1,2,3,4-tetrahydroquinoline
CID 105473000
(4R)-6,7,8-trimethoxy-4-piperidin-1-yl-1,2,3,4-tetrahydroisoquinoline
CID 9170039
4-(4-methyl-1,4-diazepan-1-yl)-1,2,3,4-tetrahydroisoquinoline
CID 63938382

Frequently Asked Questions

What is the IUPAC name of (4S)-5-methoxy-4-pyrrolidin-1-yl-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of (4S)-5-methoxy-4-pyrrolidin-1-yl-1,2,3,4-tetrahydroisoquinoline (CID 9169184) is (4S)-5-methoxy-4-pyrrolidin-1-yl-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for (4S)-5-methoxy-4-pyrrolidin-1-yl-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for (4S)-5-methoxy-4-pyrrolidin-1-yl-1,2,3,4-tetrahydroisoquinoline is COc1cccc2c1[C@H](N1CCCC1)CNC2.
What is the InChIKey of (4S)-5-methoxy-4-pyrrolidin-1-yl-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is UORQVYVUUALIDB-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H20N2O/c1-17-13-6-4-5-11-9-15-10-12(14(11)13)16-7-2-3-8-16/h4-6,12,15H,2-3,7-10H2,1H3/t12-/m1/s1.
What are the key properties of (4S)-5-methoxy-4-pyrrolidin-1-yl-1,2,3,4-tetrahydroisoquinoline?
(4S)-5-methoxy-4-pyrrolidin-1-yl-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 232.33 g/mol, XLogP of 1.94, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-5-methoxy-4-pyrrolidin-1-yl-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 9169184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).