methyl 3-hydroxy-4-[(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)methyl]naphthalene-2-carboxylate

C23H23NO4 — CID 71844842

IUPACmethyl 3-hydroxy-4-[(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)methyl]naphthalene-2-carboxylate
SMILESCOC(=O)c1cc2ccccc2c(CN2CCCc3cc(OC)ccc32)c1O
InChIInChI=1S/C23H23NO4/c1-27-17-9-10-21-16(12-17)7-5-11-24(21)14-20-18-8-4-3-6-15(18)13-19(22(20)25)23(26)28-2/h3-4,6,8-10,12-13,25H,5,7,11,14H2,1-2H3
InChIKeyPAGDUTTUHORBIO-UHFFFAOYSA-N
MW377.44 g/mol
LogP4.29
Rot. Bonds4

About methyl 3-hydroxy-4-[(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)methyl]naphthalene-2-carboxylate

methyl 3-hydroxy-4-[(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)methyl]naphthalene-2-carboxylate (PubChem CID 71844842) has the molecular formula C23H23NO4 and a molecular weight of 377.44 g/mol. Its IUPAC name is methyl 3-hydroxy-4-[(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)methyl]naphthalene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-hydroxy-4-[(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)methyl]naphthalene-2-carboxylate
PubChem CID71844842
Molecular FormulaC23H23NO4
Molecular Weight377.44 g/mol
Exact Mass377.16
IUPAC Namemethyl 3-hydroxy-4-[(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)methyl]naphthalene-2-carboxylate
SMILESCOC(=O)c1cc2ccccc2c(CN2CCCc3cc(OC)ccc32)c1O
InChIInChI=1S/C23H23NO4/c1-27-17-9-10-21-16(12-17)7-5-11-24(21)14-20-18-8-4-3-6-15(18)13-19(22(20)25)23(26)28-2/h3-4,6,8-10,12-13,25H,5,7,11,14H2,1-2H3
InChIKeyPAGDUTTUHORBIO-UHFFFAOYSA-N
XLogP4.29
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

methyl 4-[(2,6-dimethylmorpholin-4-yl)methyl]-3-hydroxynaphthalene-2-carboxylate
CID 17464328
2-(3,4-dihydro-2H-quinolin-1-ylmethyl)-5-methoxyphenol
CID 82975068
methyl 1-[(2-methylquinolin-4-yl)methyl]-3,4-dihydro-2H-quinoline-6-carboxylate
CID 71844832
methyl 3-hydroxy-4-(2-hydroxy-3-methoxycarbonylnaphthalen-1-yl)naphthalene-2-carboxylate
CID 10905491
N-(2-cyanoethyl)-2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)acetamide
CID 18125383
7-chloro-2-[(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one
CID 17456486
(1-benzyl-2,3-dihydroindol-5-yl) N-[(4-methoxyphenyl)methyl]carbamate
CID 86659867
2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-N-(2-prop-2-enylsulfanylphenyl)acetamide
CID 18125374
1-(2-chloro-5-methoxyphenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 82050609
1-[2-(5-methoxy-2,3-dihydroindole-1-carbonyl)phenyl]ethanone
CID 122143793
2-(3,4-dihydro-2H-quinolin-1-yl)-1-(3-methoxyphenyl)ethanone
CID 43227216
ethyl 2-[[6-(quinolin-2-ylmethoxy)-3,4-dihydro-2H-quinolin-1-yl]methyl]benzoate
CID 70105631

Frequently Asked Questions

What is the IUPAC name of methyl 3-hydroxy-4-[(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)methyl]naphthalene-2-carboxylate?
The IUPAC name of methyl 3-hydroxy-4-[(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)methyl]naphthalene-2-carboxylate (CID 71844842) is methyl 3-hydroxy-4-[(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)methyl]naphthalene-2-carboxylate.
What is the SMILES notation for methyl 3-hydroxy-4-[(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)methyl]naphthalene-2-carboxylate?
The canonical SMILES for methyl 3-hydroxy-4-[(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)methyl]naphthalene-2-carboxylate is COC(=O)c1cc2ccccc2c(CN2CCCc3cc(OC)ccc32)c1O.
What is the InChIKey of methyl 3-hydroxy-4-[(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)methyl]naphthalene-2-carboxylate?
The InChIKey is PAGDUTTUHORBIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NO4/c1-27-17-9-10-21-16(12-17)7-5-11-24(21)14-20-18-8-4-3-6-15(18)13-19(22(20)25)23(26)28-2/h3-4,6,8-10,12-13,25H,5,7,11,14H2,1-2H3.
What are the key properties of methyl 3-hydroxy-4-[(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)methyl]naphthalene-2-carboxylate?
methyl 3-hydroxy-4-[(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)methyl]naphthalene-2-carboxylate has a molecular weight of 377.44 g/mol, XLogP of 4.29, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-hydroxy-4-[(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)methyl]naphthalene-2-carboxylate is sourced from PubChem (CID 71844842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).