(4R)-4-(azepan-1-yl)-5,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline

C17H26N2O2 — CID 9169849

IUPAC(4R)-4-(azepan-1-yl)-5,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline
SMILESCOc1cc2c(c(OC)c1)[C@@H](N1CCCCCC1)CNC2
InChIInChI=1S/C17H26N2O2/c1-20-14-9-13-11-18-12-15(17(13)16(10-14)21-2)19-7-5-3-4-6-8-19/h9-10,15,18H,3-8,11-12H2,1-2H3/t15-/m0/s1
InChIKeyUKNDAMVVJLWCAR-HNNXBMFYSA-N
MW290.41 g/mol
LogP2.72
Rot. Bonds3

About (4R)-4-(azepan-1-yl)-5,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline

(4R)-4-(azepan-1-yl)-5,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline (PubChem CID 9169849) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is (4R)-4-(azepan-1-yl)-5,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name(4R)-4-(azepan-1-yl)-5,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline
PubChem CID9169849
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name(4R)-4-(azepan-1-yl)-5,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline
SMILESCOc1cc2c(c(OC)c1)[C@@H](N1CCCCCC1)CNC2
InChIInChI=1S/C17H26N2O2/c1-20-14-9-13-11-18-12-15(17(13)16(10-14)21-2)19-7-5-3-4-6-8-19/h9-10,15,18H,3-8,11-12H2,1-2H3/t15-/m0/s1
InChIKeyUKNDAMVVJLWCAR-HNNXBMFYSA-N
XLogP2.72
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (4R)-4-(azepan-1-yl)-5,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline with MolForge

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Related Compounds

(4S)-5-methoxy-4-pyrrolidin-1-yl-1,2,3,4-tetrahydroisoquinoline
CID 9169184
(4R)-6,7,8-trimethoxy-4-piperidin-1-yl-1,2,3,4-tetrahydroisoquinoline
CID 9170039
4-[(4R)-5-methoxy-1,2,3,4-tetrahydroisoquinolin-4-yl]morpholine
CID 9169145
5-fluoro-7-methoxy-1,2,3,4-tetrahydroisoquinolin-4-ol;7-fluoro-5-methoxy-1,2,3,4-tetrahydroisoquinolin-4-ol
CID 160976441
5,7-dimethoxy-3,4-dimethyl-1,2,3,4-tetrahydroisoquinoline
CID 64687584
(4R)-6-methoxy-4-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydroisoquinoline
CID 9169269
(4S)-4-(4-ethylpiperazin-1-yl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline
CID 9169752
(4R)-7-methyl-4-pyrrolidin-1-yl-1,2,3,4-tetrahydroisoquinoline
CID 9170495
(4R)-6-methyl-4-pyrrolidin-1-yl-1,2,3,4-tetrahydroisoquinoline
CID 9170420
(4R)-7-methoxy-4-(4-propylpiperazin-1-yl)-1,2,3,4-tetrahydroisoquinoline
CID 9169422
4-[(4S)-5,8-dimethoxy-1,2,3,4-tetrahydroisoquinolin-4-yl]morpholine
CID 9169870
(4R)-N,N-dimethyl-4-piperidin-1-yl-1,2,3,4-tetrahydroisoquinolin-7-amine
CID 9170189

Frequently Asked Questions

What is the IUPAC name of (4R)-4-(azepan-1-yl)-5,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of (4R)-4-(azepan-1-yl)-5,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline (CID 9169849) is (4R)-4-(azepan-1-yl)-5,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for (4R)-4-(azepan-1-yl)-5,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for (4R)-4-(azepan-1-yl)-5,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline is COc1cc2c(c(OC)c1)[C@@H](N1CCCCCC1)CNC2.
What is the InChIKey of (4R)-4-(azepan-1-yl)-5,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is UKNDAMVVJLWCAR-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-20-14-9-13-11-18-12-15(17(13)16(10-14)21-2)19-7-5-3-4-6-8-19/h9-10,15,18H,3-8,11-12H2,1-2H3/t15-/m0/s1.
What are the key properties of (4R)-4-(azepan-1-yl)-5,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline?
(4R)-4-(azepan-1-yl)-5,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 290.41 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(azepan-1-yl)-5,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 9169849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).