methyl 2-[(8-hydroxy-5,5-dimethyl-8-quinolin-3-yl-6,7-dihydronaphthalene-2-carbonyl)amino]benzoate

C30H28N2O4 — CID 139703723

IUPACmethyl 2-[(8-hydroxy-5,5-dimethyl-8-quinolin-3-yl-6,7-dihydronaphthalene-2-carbonyl)amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)c1ccc2c(c1)C(O)(c1cnc3ccccc3c1)CCC2(C)C
InChIInChI=1S/C30H28N2O4/c1-29(2)14-15-30(35,21-16-19-8-4-6-10-25(19)31-18-21)24-17-20(12-13-23(24)29)27(33)32-26-11-7-5-9-22(26)28(34)36-3/h4-13,16-18,35H,14-15H2,1-3H3,(H,32,33)
InChIKeyOWNHCWOXTDOYDW-UHFFFAOYSA-N
MW480.56 g/mol
LogP5.58
Rot. Bonds4

About methyl 2-[(8-hydroxy-5,5-dimethyl-8-quinolin-3-yl-6,7-dihydronaphthalene-2-carbonyl)amino]benzoate

methyl 2-[(8-hydroxy-5,5-dimethyl-8-quinolin-3-yl-6,7-dihydronaphthalene-2-carbonyl)amino]benzoate (PubChem CID 139703723) has the molecular formula C30H28N2O4 and a molecular weight of 480.56 g/mol. Its IUPAC name is methyl 2-[(8-hydroxy-5,5-dimethyl-8-quinolin-3-yl-6,7-dihydronaphthalene-2-carbonyl)amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[(8-hydroxy-5,5-dimethyl-8-quinolin-3-yl-6,7-dihydronaphthalene-2-carbonyl)amino]benzoate
PubChem CID139703723
Molecular FormulaC30H28N2O4
Molecular Weight480.56 g/mol
Exact Mass480.20
IUPAC Namemethyl 2-[(8-hydroxy-5,5-dimethyl-8-quinolin-3-yl-6,7-dihydronaphthalene-2-carbonyl)amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)c1ccc2c(c1)C(O)(c1cnc3ccccc3c1)CCC2(C)C
InChIInChI=1S/C30H28N2O4/c1-29(2)14-15-30(35,21-16-19-8-4-6-10-25(19)31-18-21)24-17-20(12-13-23(24)29)27(33)32-26-11-7-5-9-22(26)28(34)36-3/h4-13,16-18,35H,14-15H2,1-3H3,(H,32,33)
InChIKeyOWNHCWOXTDOYDW-UHFFFAOYSA-N
XLogP5.58
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.56
LogP ≤ 55.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl 2-[(8-hydroxy-5,5-dimethyl-8-quinolin-3-yl-6,7-dihydronaphthalene-2-carbonyl)amino]benzoate with MolForge

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Related Compounds

4-[(8-hydroxy-5,5-dimethyl-8-quinolin-3-yl-6,7-dihydronaphthalene-2-carbonyl)amino]benzoic acid
CID 67742572
methyl 2-(pyridazine-4-carbonylamino)benzoate
CID 112706538
methyl 2-[(6-chloropyridine-3-carbonyl)amino]benzoate
CID 18273877
N-(2,4-dihydroxyphenyl)-5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carboxamide
CID 166326596
[5-[(2-methoxycarbonylphenyl)carbamoyl]pyrimidin-2-yl]methanesulfinate
CID 174368425
methyl 3-iodo-2-[2-oxo-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethoxy]benzoate
CID 139794615
methyl 2-[(3-ethoxybenzoyl)amino]benzoate
CID 881681
methyl 2-[(3-iodobenzoyl)amino]benzoate
CID 1019242
N-(2-iodophenyl)quinoline-3-carboxamide
CID 139568501
methyl 2-(1,2,3-benzothiadiazole-5-carbonylamino)benzoate
CID 26817794
methyl 2-[(3-bromo-4-methoxybenzoyl)amino]benzoate
CID 1226570
methyl 2-(isoquinoline-1-carbonylamino)benzoate
CID 110861602

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(8-hydroxy-5,5-dimethyl-8-quinolin-3-yl-6,7-dihydronaphthalene-2-carbonyl)amino]benzoate?
The IUPAC name of methyl 2-[(8-hydroxy-5,5-dimethyl-8-quinolin-3-yl-6,7-dihydronaphthalene-2-carbonyl)amino]benzoate (CID 139703723) is methyl 2-[(8-hydroxy-5,5-dimethyl-8-quinolin-3-yl-6,7-dihydronaphthalene-2-carbonyl)amino]benzoate.
What is the SMILES notation for methyl 2-[(8-hydroxy-5,5-dimethyl-8-quinolin-3-yl-6,7-dihydronaphthalene-2-carbonyl)amino]benzoate?
The canonical SMILES for methyl 2-[(8-hydroxy-5,5-dimethyl-8-quinolin-3-yl-6,7-dihydronaphthalene-2-carbonyl)amino]benzoate is COC(=O)c1ccccc1NC(=O)c1ccc2c(c1)C(O)(c1cnc3ccccc3c1)CCC2(C)C.
What is the InChIKey of methyl 2-[(8-hydroxy-5,5-dimethyl-8-quinolin-3-yl-6,7-dihydronaphthalene-2-carbonyl)amino]benzoate?
The InChIKey is OWNHCWOXTDOYDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28N2O4/c1-29(2)14-15-30(35,21-16-19-8-4-6-10-25(19)31-18-21)24-17-20(12-13-23(24)29)27(33)32-26-11-7-5-9-22(26)28(34)36-3/h4-13,16-18,35H,14-15H2,1-3H3,(H,32,33).
What are the key properties of methyl 2-[(8-hydroxy-5,5-dimethyl-8-quinolin-3-yl-6,7-dihydronaphthalene-2-carbonyl)amino]benzoate?
methyl 2-[(8-hydroxy-5,5-dimethyl-8-quinolin-3-yl-6,7-dihydronaphthalene-2-carbonyl)amino]benzoate has a molecular weight of 480.56 g/mol, XLogP of 5.58, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(8-hydroxy-5,5-dimethyl-8-quinolin-3-yl-6,7-dihydronaphthalene-2-carbonyl)amino]benzoate is sourced from PubChem (CID 139703723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).