methyl 4-(4-methoxy-6,6,9,9-tetramethyl-7,8-dihydrobenzo[g]quinolin-2-yl)benzoate

C26H29NO3 — CID 10046765

IUPACmethyl 4-(4-methoxy-6,6,9,9-tetramethyl-7,8-dihydrobenzo[g]quinolin-2-yl)benzoate
SMILESCOC(=O)c1ccc(-c2cc(OC)c3cc4c(cc3n2)C(C)(C)CCC4(C)C)cc1
InChIInChI=1S/C26H29NO3/c1-25(2)11-12-26(3,4)20-14-22-18(13-19(20)25)23(29-5)15-21(27-22)16-7-9-17(10-8-16)24(28)30-6/h7-10,13-15H,11-12H2,1-6H3
InChIKeyMIJARQMIOZBZEM-UHFFFAOYSA-N
MW403.52 g/mol
LogP6.05
Rot. Bonds3

About methyl 4-(4-methoxy-6,6,9,9-tetramethyl-7,8-dihydrobenzo[g]quinolin-2-yl)benzoate

methyl 4-(4-methoxy-6,6,9,9-tetramethyl-7,8-dihydrobenzo[g]quinolin-2-yl)benzoate (PubChem CID 10046765) has the molecular formula C26H29NO3 and a molecular weight of 403.52 g/mol. Its IUPAC name is methyl 4-(4-methoxy-6,6,9,9-tetramethyl-7,8-dihydrobenzo[g]quinolin-2-yl)benzoate.

Molecular Properties

Compound Namemethyl 4-(4-methoxy-6,6,9,9-tetramethyl-7,8-dihydrobenzo[g]quinolin-2-yl)benzoate
PubChem CID10046765
Molecular FormulaC26H29NO3
Molecular Weight403.52 g/mol
Exact Mass403.21
IUPAC Namemethyl 4-(4-methoxy-6,6,9,9-tetramethyl-7,8-dihydrobenzo[g]quinolin-2-yl)benzoate
SMILESCOC(=O)c1ccc(-c2cc(OC)c3cc4c(cc3n2)C(C)(C)CCC4(C)C)cc1
InChIInChI=1S/C26H29NO3/c1-25(2)11-12-26(3,4)20-14-22-18(13-19(20)25)23(29-5)15-21(27-22)16-7-9-17(10-8-16)24(28)30-6/h7-10,13-15H,11-12H2,1-6H3
InChIKeyMIJARQMIOZBZEM-UHFFFAOYSA-N
XLogP6.05
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.52
LogP ≤ 56.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 4-(4-methoxy-6,6,9,9-tetramethyl-7,8-dihydrobenzo[g]quinolin-2-yl)benzoate with MolForge

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Related Compounds

methyl 4-[2-oxo-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)acetyl]benzoate
CID 14726493
methyl 4-[1-methyl-5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)pyrrol-2-yl]benzoate
CID 14726514
methyl 4-[5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)furan-3-yl]benzoate
CID 14726501
methyl 4-(6,6,9,9-tetramethyl-4-oxo-7,8-dihydrobenzo[g]chromen-2-yl)benzoate
CID 14052609
methyl 4-(3-ethoxy-5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carbonyl)benzoate
CID 142634748
N-[4-methoxy-2-(4-methoxyphenyl)quinolin-6-yl]benzamide
CID 53113445
methyl 4-ethoxy-2-(4-fluorophenyl)quinoline-6-carboxylate
CID 154854437
4-methoxy-N-(2-methoxyethyl)-2-(4-methylphenyl)quinoline-6-carboxamide
CID 46319106
4-methoxy-2-(4-methylphenyl)-N-propylquinoline-6-carboxamide
CID 46319104
methyl 4-(5,5-dimethyl-8-oxo-6,7-dihydroanthracen-2-yl)benzoate
CID 21217157
methyl 2-(2-fluorophenyl)-4-methoxyquinoline-7-carboxylate
CID 169130532
methyl 6-[(E)-N-methoxy-C-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)carbonimidoyl]naphthalene-2-carboxylate
CID 10622500

Frequently Asked Questions

What is the IUPAC name of methyl 4-(4-methoxy-6,6,9,9-tetramethyl-7,8-dihydrobenzo[g]quinolin-2-yl)benzoate?
The IUPAC name of methyl 4-(4-methoxy-6,6,9,9-tetramethyl-7,8-dihydrobenzo[g]quinolin-2-yl)benzoate (CID 10046765) is methyl 4-(4-methoxy-6,6,9,9-tetramethyl-7,8-dihydrobenzo[g]quinolin-2-yl)benzoate.
What is the SMILES notation for methyl 4-(4-methoxy-6,6,9,9-tetramethyl-7,8-dihydrobenzo[g]quinolin-2-yl)benzoate?
The canonical SMILES for methyl 4-(4-methoxy-6,6,9,9-tetramethyl-7,8-dihydrobenzo[g]quinolin-2-yl)benzoate is COC(=O)c1ccc(-c2cc(OC)c3cc4c(cc3n2)C(C)(C)CCC4(C)C)cc1.
What is the InChIKey of methyl 4-(4-methoxy-6,6,9,9-tetramethyl-7,8-dihydrobenzo[g]quinolin-2-yl)benzoate?
The InChIKey is MIJARQMIOZBZEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29NO3/c1-25(2)11-12-26(3,4)20-14-22-18(13-19(20)25)23(29-5)15-21(27-22)16-7-9-17(10-8-16)24(28)30-6/h7-10,13-15H,11-12H2,1-6H3.
What are the key properties of methyl 4-(4-methoxy-6,6,9,9-tetramethyl-7,8-dihydrobenzo[g]quinolin-2-yl)benzoate?
methyl 4-(4-methoxy-6,6,9,9-tetramethyl-7,8-dihydrobenzo[g]quinolin-2-yl)benzoate has a molecular weight of 403.52 g/mol, XLogP of 6.05, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(4-methoxy-6,6,9,9-tetramethyl-7,8-dihydrobenzo[g]quinolin-2-yl)benzoate is sourced from PubChem (CID 10046765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).