phenyl 2-(4-methoxyphenyl)-6-methylquinoline-4-carboxylate

C24H19NO3 — CID 5101161

IUPACphenyl 2-(4-methoxyphenyl)-6-methylquinoline-4-carboxylate
SMILESCOc1ccc(-c2cc(C(=O)Oc3ccccc3)c3cc(C)ccc3n2)cc1
InChIInChI=1S/C24H19NO3/c1-16-8-13-22-20(14-16)21(24(26)28-19-6-4-3-5-7-19)15-23(25-22)17-9-11-18(27-2)12-10-17/h3-15H,1-2H3
InChIKeyNBVMUGFWRWVYHZ-UHFFFAOYSA-N
MW369.42 g/mol
LogP5.44
Rot. Bonds4

About phenyl 2-(4-methoxyphenyl)-6-methylquinoline-4-carboxylate

phenyl 2-(4-methoxyphenyl)-6-methylquinoline-4-carboxylate (PubChem CID 5101161) has the molecular formula C24H19NO3 and a molecular weight of 369.42 g/mol. Its IUPAC name is phenyl 2-(4-methoxyphenyl)-6-methylquinoline-4-carboxylate.

Molecular Properties

Compound Namephenyl 2-(4-methoxyphenyl)-6-methylquinoline-4-carboxylate
PubChem CID5101161
Molecular FormulaC24H19NO3
Molecular Weight369.42 g/mol
Exact Mass369.14
IUPAC Namephenyl 2-(4-methoxyphenyl)-6-methylquinoline-4-carboxylate
SMILESCOc1ccc(-c2cc(C(=O)Oc3ccccc3)c3cc(C)ccc3n2)cc1
InChIInChI=1S/C24H19NO3/c1-16-8-13-22-20(14-16)21(24(26)28-19-6-4-3-5-7-19)15-23(25-22)17-9-11-18(27-2)12-10-17/h3-15H,1-2H3
InChIKeyNBVMUGFWRWVYHZ-UHFFFAOYSA-N
XLogP5.44
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.42
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

Veliflapon
CID 123723
Neocinchophen
CID 68089
2-(4-Ethoxyphenyl)quinoline-4-carboxylic acid
CID 673734
Jnj16259685
CID 11313361
6-Fluoro-2-[2-Methyl-4-Phenoxy-5-(Propan-2-Yl)phenyl]quinoline-4-Carboxylic Acid
CID 71816353
2-Methoxy-4-quinolinecarboxylic acid
CID 1130354
Ethyl 6-methoxy-2-methylquinoline-3-carboxylate
CID 618636
2-(4-Methoxyphenyl)quinoline-4-carboxylic acid
CID 676325
(inverted exclamation markA)-BI-D
CID 71592850
R214127
CID 10470232
(2s)-Tert-Butoxy[4-(3,4-Dihydro-2h-Chromen-6-Yl)-2-Methylquinolin-3-Yl]ethanoic Acid
CID 44199168
N-(4-ethoxyphenyl)-2-methoxyquinoline-4-carboxamide
CID 705265

Frequently Asked Questions

What is the IUPAC name of phenyl 2-(4-methoxyphenyl)-6-methylquinoline-4-carboxylate?
The IUPAC name of phenyl 2-(4-methoxyphenyl)-6-methylquinoline-4-carboxylate (CID 5101161) is phenyl 2-(4-methoxyphenyl)-6-methylquinoline-4-carboxylate.
What is the SMILES notation for phenyl 2-(4-methoxyphenyl)-6-methylquinoline-4-carboxylate?
The canonical SMILES for phenyl 2-(4-methoxyphenyl)-6-methylquinoline-4-carboxylate is COc1ccc(-c2cc(C(=O)Oc3ccccc3)c3cc(C)ccc3n2)cc1.
What is the InChIKey of phenyl 2-(4-methoxyphenyl)-6-methylquinoline-4-carboxylate?
The InChIKey is NBVMUGFWRWVYHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19NO3/c1-16-8-13-22-20(14-16)21(24(26)28-19-6-4-3-5-7-19)15-23(25-22)17-9-11-18(27-2)12-10-17/h3-15H,1-2H3.
What are the key properties of phenyl 2-(4-methoxyphenyl)-6-methylquinoline-4-carboxylate?
phenyl 2-(4-methoxyphenyl)-6-methylquinoline-4-carboxylate has a molecular weight of 369.42 g/mol, XLogP of 5.44, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl 2-(4-methoxyphenyl)-6-methylquinoline-4-carboxylate is sourced from PubChem (CID 5101161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).