7-methoxy-1-morpholin-4-yl-3,4-dihydro-2H-naphthalene-1-carboxylic acid

C16H21NO4 — CID 79235750

IUPAC7-methoxy-1-morpholin-4-yl-3,4-dihydro-2H-naphthalene-1-carboxylic acid
SMILESCOc1ccc2c(c1)C(C(=O)O)(N1CCOCC1)CCC2
InChIInChI=1S/C16H21NO4/c1-20-13-5-4-12-3-2-6-16(15(18)19,14(12)11-13)17-7-9-21-10-8-17/h4-5,11H,2-3,6-10H2,1H3,(H,18,19)
InChIKeySVSAFDYPHVKHNB-UHFFFAOYSA-N
MW291.35 g/mol
LogP1.64
Rot. Bonds3

About 7-methoxy-1-morpholin-4-yl-3,4-dihydro-2H-naphthalene-1-carboxylic acid

7-methoxy-1-morpholin-4-yl-3,4-dihydro-2H-naphthalene-1-carboxylic acid (PubChem CID 79235750) has the molecular formula C16H21NO4 and a molecular weight of 291.35 g/mol. Its IUPAC name is 7-methoxy-1-morpholin-4-yl-3,4-dihydro-2H-naphthalene-1-carboxylic acid.

Molecular Properties

Compound Name7-methoxy-1-morpholin-4-yl-3,4-dihydro-2H-naphthalene-1-carboxylic acid
PubChem CID79235750
Molecular FormulaC16H21NO4
Molecular Weight291.35 g/mol
Exact Mass291.15
IUPAC Name7-methoxy-1-morpholin-4-yl-3,4-dihydro-2H-naphthalene-1-carboxylic acid
SMILESCOc1ccc2c(c1)C(C(=O)O)(N1CCOCC1)CCC2
InChIInChI=1S/C16H21NO4/c1-20-13-5-4-12-3-2-6-16(15(18)19,14(12)11-13)17-7-9-21-10-8-17/h4-5,11H,2-3,6-10H2,1H3,(H,18,19)
InChIKeySVSAFDYPHVKHNB-UHFFFAOYSA-N
XLogP1.64
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-1-morpholin-4-yl-3,4-dihydro-2H-naphthalene-1-carboxylic acid?
The IUPAC name of 7-methoxy-1-morpholin-4-yl-3,4-dihydro-2H-naphthalene-1-carboxylic acid (CID 79235750) is 7-methoxy-1-morpholin-4-yl-3,4-dihydro-2H-naphthalene-1-carboxylic acid.
What is the SMILES notation for 7-methoxy-1-morpholin-4-yl-3,4-dihydro-2H-naphthalene-1-carboxylic acid?
The canonical SMILES for 7-methoxy-1-morpholin-4-yl-3,4-dihydro-2H-naphthalene-1-carboxylic acid is COc1ccc2c(c1)C(C(=O)O)(N1CCOCC1)CCC2.
What is the InChIKey of 7-methoxy-1-morpholin-4-yl-3,4-dihydro-2H-naphthalene-1-carboxylic acid?
The InChIKey is SVSAFDYPHVKHNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO4/c1-20-13-5-4-12-3-2-6-16(15(18)19,14(12)11-13)17-7-9-21-10-8-17/h4-5,11H,2-3,6-10H2,1H3,(H,18,19).
What are the key properties of 7-methoxy-1-morpholin-4-yl-3,4-dihydro-2H-naphthalene-1-carboxylic acid?
7-methoxy-1-morpholin-4-yl-3,4-dihydro-2H-naphthalene-1-carboxylic acid has a molecular weight of 291.35 g/mol, XLogP of 1.64, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-1-morpholin-4-yl-3,4-dihydro-2H-naphthalene-1-carboxylic acid is sourced from PubChem (CID 79235750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).