ethyl 4-(3-methoxyphenyl)-1-[(3-methoxyphenyl)methyl]-4H-quinoline-3-carboxylate

C27H27NO4 — CID 122181888

IUPACethyl 4-(3-methoxyphenyl)-1-[(3-methoxyphenyl)methyl]-4H-quinoline-3-carboxylate
SMILESCCOC(=O)C1=CN(Cc2cccc(OC)c2)c2ccccc2C1c1cccc(OC)c1
InChIInChI=1S/C27H27NO4/c1-4-32-27(29)24-18-28(17-19-9-7-11-21(15-19)30-2)25-14-6-5-13-23(25)26(24)20-10-8-12-22(16-20)31-3/h5-16,18,26H,4,17H2,1-3H3
InChIKeyANYQZWFWLCMMGN-UHFFFAOYSA-N
MW429.52 g/mol
LogP5.30
Rot. Bonds7

About ethyl 4-(3-methoxyphenyl)-1-[(3-methoxyphenyl)methyl]-4H-quinoline-3-carboxylate

ethyl 4-(3-methoxyphenyl)-1-[(3-methoxyphenyl)methyl]-4H-quinoline-3-carboxylate (PubChem CID 122181888) has the molecular formula C27H27NO4 and a molecular weight of 429.52 g/mol. Its IUPAC name is ethyl 4-(3-methoxyphenyl)-1-[(3-methoxyphenyl)methyl]-4H-quinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-(3-methoxyphenyl)-1-[(3-methoxyphenyl)methyl]-4H-quinoline-3-carboxylate
PubChem CID122181888
Molecular FormulaC27H27NO4
Molecular Weight429.52 g/mol
Exact Mass429.19
IUPAC Nameethyl 4-(3-methoxyphenyl)-1-[(3-methoxyphenyl)methyl]-4H-quinoline-3-carboxylate
SMILESCCOC(=O)C1=CN(Cc2cccc(OC)c2)c2ccccc2C1c1cccc(OC)c1
InChIInChI=1S/C27H27NO4/c1-4-32-27(29)24-18-28(17-19-9-7-11-21(15-19)30-2)25-14-6-5-13-23(25)26(24)20-10-8-12-22(16-20)31-3/h5-16,18,26H,4,17H2,1-3H3
InChIKeyANYQZWFWLCMMGN-UHFFFAOYSA-N
XLogP5.30
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.52
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-(3,4-dimethoxyphenyl)-1-[(4-methoxyphenyl)methyl]-4H-quinoline-3-carboxylate
CID 122181893
diethyl 4-(3-methoxyphenyl)-1-methyl-4H-pyridine-3,5-dicarboxylate
CID 758718
1-ethyl-3-(3-methoxyphenyl)-3H-indol-2-one
CID 141342791
3-amino-1-[(3-methoxyphenyl)methyl]-3H-indol-2-one
CID 43254974
ethyl (4R)-1-[(4-methoxyphenyl)methyl]-2,5-dimethyl-4-phenyl-4H-quinoline-3-carboxylate
CID 132500030
ethyl 1-[(3-methoxyphenyl)methyl]tetrazole-5-carboxylate
CID 79317603
ethyl 4-[(3-methoxyphenyl)methyl]-5-methyl-1,2,4-triazole-3-carboxylate
CID 83232650
ethyl 5-(chloromethyl)-1-[(3-methoxyphenyl)methyl]triazole-4-carboxylate
CID 103109114
ethyl 1-[2-(3-methoxyphenyl)ethyl]indole-2-carboxylate
CID 68856722
methyl 1-benzyl-2-(3-methoxyphenyl)-2H-quinoline-4-carboxylate
CID 102196240
diethyl 1-[(4-methoxyphenyl)methyl]-4-(4-phenylmethoxyphenyl)-4H-pyridine-3,5-dicarboxylate
CID 17371390
4-(3-methoxyphenyl)-1-[(3-methoxyphenyl)methyl]azetidin-2-one
CID 10924467

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(3-methoxyphenyl)-1-[(3-methoxyphenyl)methyl]-4H-quinoline-3-carboxylate?
The IUPAC name of ethyl 4-(3-methoxyphenyl)-1-[(3-methoxyphenyl)methyl]-4H-quinoline-3-carboxylate (CID 122181888) is ethyl 4-(3-methoxyphenyl)-1-[(3-methoxyphenyl)methyl]-4H-quinoline-3-carboxylate.
What is the SMILES notation for ethyl 4-(3-methoxyphenyl)-1-[(3-methoxyphenyl)methyl]-4H-quinoline-3-carboxylate?
The canonical SMILES for ethyl 4-(3-methoxyphenyl)-1-[(3-methoxyphenyl)methyl]-4H-quinoline-3-carboxylate is CCOC(=O)C1=CN(Cc2cccc(OC)c2)c2ccccc2C1c1cccc(OC)c1.
What is the InChIKey of ethyl 4-(3-methoxyphenyl)-1-[(3-methoxyphenyl)methyl]-4H-quinoline-3-carboxylate?
The InChIKey is ANYQZWFWLCMMGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27NO4/c1-4-32-27(29)24-18-28(17-19-9-7-11-21(15-19)30-2)25-14-6-5-13-23(25)26(24)20-10-8-12-22(16-20)31-3/h5-16,18,26H,4,17H2,1-3H3.
What are the key properties of ethyl 4-(3-methoxyphenyl)-1-[(3-methoxyphenyl)methyl]-4H-quinoline-3-carboxylate?
ethyl 4-(3-methoxyphenyl)-1-[(3-methoxyphenyl)methyl]-4H-quinoline-3-carboxylate has a molecular weight of 429.52 g/mol, XLogP of 5.30, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(3-methoxyphenyl)-1-[(3-methoxyphenyl)methyl]-4H-quinoline-3-carboxylate is sourced from PubChem (CID 122181888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).