ethyl 4-hydroxy-1-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]-3,6-dihydro-2H-pyridine-5-carboxylate;hydrochloride

C20H28ClNO4 — CID 70358137

IUPACethyl 4-hydroxy-1-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]-3,6-dihydro-2H-pyridine-5-carboxylate;hydrochloride
SMILESCCOC(=O)C1=C(O)CCN(CC2CCCc3ccc(OC)cc32)C1.Cl
InChIInChI=1S/C20H27NO4.ClH/c1-3-25-20(23)18-13-21(10-9-19(18)22)12-15-6-4-5-14-7-8-16(24-2)11-17(14)15;/h7-8,11,15,22H,3-6,9-10,12-13H2,1-2H3;1H
InChIKeyBZDYQVHUNMAFKM-UHFFFAOYSA-N
MW381.90 g/mol
LogP3.62
Rot. Bonds5

About ethyl 4-hydroxy-1-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]-3,6-dihydro-2H-pyridine-5-carboxylate;hydrochloride

ethyl 4-hydroxy-1-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]-3,6-dihydro-2H-pyridine-5-carboxylate;hydrochloride (PubChem CID 70358137) has the molecular formula C20H28ClNO4 and a molecular weight of 381.90 g/mol. Its IUPAC name is ethyl 4-hydroxy-1-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]-3,6-dihydro-2H-pyridine-5-carboxylate;hydrochloride.

Molecular Properties

Compound Nameethyl 4-hydroxy-1-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]-3,6-dihydro-2H-pyridine-5-carboxylate;hydrochloride
PubChem CID70358137
Molecular FormulaC20H28ClNO4
Molecular Weight381.90 g/mol
Exact Mass381.17
IUPAC Nameethyl 4-hydroxy-1-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]-3,6-dihydro-2H-pyridine-5-carboxylate;hydrochloride
SMILESCCOC(=O)C1=C(O)CCN(CC2CCCc3ccc(OC)cc32)C1.Cl
InChIInChI=1S/C20H27NO4.ClH/c1-3-25-20(23)18-13-21(10-9-19(18)22)12-15-6-4-5-14-7-8-16(24-2)11-17(14)15;/h7-8,11,15,22H,3-6,9-10,12-13H2,1-2H3;1H
InChIKeyBZDYQVHUNMAFKM-UHFFFAOYSA-N
XLogP3.62
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.90
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 4-hydroxy-1-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]-3,6-dihydro-2H-pyridine-5-carboxylate;hydrochloride with MolForge

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Related Compounds

4-hydroxy-1-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]-3,6-dihydro-2H-pyridine-5-carboxylic acid
CID 54688846
ethyl 1-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)methyl]piperidine-3-carboxylate;hydrochloride
CID 159114747
2-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 82079561
1-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)methyl]-3,6-dihydro-2H-pyridine-5-carboxylic acid
CID 23044238
2-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethanol
CID 15720552
(1S)-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride
CID 71756873
2-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethylazanium chloride
CID 175673500
2-fluoro-2-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetic acid
CID 81357749
ethyl 7-methoxy-1-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 110289304
N-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]propan-2-amine
CID 79248252
(1R)-1-(3-bromopropyl)-7-methoxy-1,2,3,4-tetrahydronaphthalene
CID 129362608
ethyl 2-hydroxy-6-methoxy-3H-indene-1-carboxylate
CID 66741711

Frequently Asked Questions

What is the IUPAC name of ethyl 4-hydroxy-1-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]-3,6-dihydro-2H-pyridine-5-carboxylate;hydrochloride?
The IUPAC name of ethyl 4-hydroxy-1-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]-3,6-dihydro-2H-pyridine-5-carboxylate;hydrochloride (CID 70358137) is ethyl 4-hydroxy-1-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]-3,6-dihydro-2H-pyridine-5-carboxylate;hydrochloride.
What is the SMILES notation for ethyl 4-hydroxy-1-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]-3,6-dihydro-2H-pyridine-5-carboxylate;hydrochloride?
The canonical SMILES for ethyl 4-hydroxy-1-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]-3,6-dihydro-2H-pyridine-5-carboxylate;hydrochloride is CCOC(=O)C1=C(O)CCN(CC2CCCc3ccc(OC)cc32)C1.Cl.
What is the InChIKey of ethyl 4-hydroxy-1-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]-3,6-dihydro-2H-pyridine-5-carboxylate;hydrochloride?
The InChIKey is BZDYQVHUNMAFKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NO4.ClH/c1-3-25-20(23)18-13-21(10-9-19(18)22)12-15-6-4-5-14-7-8-16(24-2)11-17(14)15;/h7-8,11,15,22H,3-6,9-10,12-13H2,1-2H3;1H.
What are the key properties of ethyl 4-hydroxy-1-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]-3,6-dihydro-2H-pyridine-5-carboxylate;hydrochloride?
ethyl 4-hydroxy-1-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]-3,6-dihydro-2H-pyridine-5-carboxylate;hydrochloride has a molecular weight of 381.90 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-hydroxy-1-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]-3,6-dihydro-2H-pyridine-5-carboxylate;hydrochloride is sourced from PubChem (CID 70358137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).