ethyl 7-methoxy-4-oxo-2-(3-propan-2-yloxyphenyl)-1H-quinoline-3-carboxylate

C22H23NO5 — CID 71453508

IUPACethyl 7-methoxy-4-oxo-2-(3-propan-2-yloxyphenyl)-1H-quinoline-3-carboxylate
SMILESCCOC(=O)c1c(-c2cccc(OC(C)C)c2)[nH]c2cc(OC)ccc2c1=O
InChIInChI=1S/C22H23NO5/c1-5-27-22(25)19-20(14-7-6-8-16(11-14)28-13(2)3)23-18-12-15(26-4)9-10-17(18)21(19)24/h6-13H,5H2,1-4H3,(H,23,24)
InChIKeyPDDZSJXMJHCERV-UHFFFAOYSA-N
MW381.43 g/mol
LogP4.17
Rot. Bonds6

About ethyl 7-methoxy-4-oxo-2-(3-propan-2-yloxyphenyl)-1H-quinoline-3-carboxylate

ethyl 7-methoxy-4-oxo-2-(3-propan-2-yloxyphenyl)-1H-quinoline-3-carboxylate (PubChem CID 71453508) has the molecular formula C22H23NO5 and a molecular weight of 381.43 g/mol. Its IUPAC name is ethyl 7-methoxy-4-oxo-2-(3-propan-2-yloxyphenyl)-1H-quinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 7-methoxy-4-oxo-2-(3-propan-2-yloxyphenyl)-1H-quinoline-3-carboxylate
PubChem CID71453508
Molecular FormulaC22H23NO5
Molecular Weight381.43 g/mol
Exact Mass381.16
IUPAC Nameethyl 7-methoxy-4-oxo-2-(3-propan-2-yloxyphenyl)-1H-quinoline-3-carboxylate
SMILESCCOC(=O)c1c(-c2cccc(OC(C)C)c2)[nH]c2cc(OC)ccc2c1=O
InChIInChI=1S/C22H23NO5/c1-5-27-22(25)19-20(14-7-6-8-16(11-14)28-13(2)3)23-18-12-15(26-4)9-10-17(18)21(19)24/h6-13H,5H2,1-4H3,(H,23,24)
InChIKeyPDDZSJXMJHCERV-UHFFFAOYSA-N
XLogP4.17
TPSA77.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.43
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-(3,4-dichlorophenyl)-7-methoxy-4-oxo-1H-quinoline-3-carboxylate
CID 46884108
ethyl 2-(4-tert-butylphenyl)-7-methoxy-4-oxo-1H-quinoline-3-carboxylate
CID 46884105
ethyl 2-(4-methoxyphenyl)-4-oxo-1H-quinoline-3-carboxylate
CID 3022167
6-methoxy-2-(3-methoxyphenyl)-3-methyl-1H-indole
CID 13408302
ethyl 2-(2-chlorophenyl)-6-methoxy-4-oxo-1H-quinoline-3-carboxylate
CID 22480990
ethyl 2-[3-(2,6-dimethylphenyl)phenyl]-6-fluoro-7-methoxy-4-oxo-1H-quinoline-3-carboxylate
CID 71460676
ethyl 6-fluoro-2-(3-fluoro-5-methoxyphenyl)-7-methoxy-4-oxo-1H-quinoline-3-carboxylate
CID 71455209
ethyl 4-oxo-2-[4-[4-(trifluoromethoxy)phenyl]phenyl]-1H-quinoline-3-carboxylate
CID 67607592
ethyl 8-(3-methoxyphenyl)-1,1-dimethyl-3,6-dihydro-2H-azepino[4,5-b]indole-5-carboxylate
CID 66640507
ethyl 6-(3-methoxyphenyl)-2-oxo-1H-pyridine-3-carboxylate
CID 66490254
ethyl 2,4-dihydroxy-6-(3-methoxyphenyl)benzoate
CID 10779697
ethyl 7-chloro-4-oxo-2-[4-[4-(trifluoromethoxy)phenoxy]phenyl]-1H-quinoline-3-carboxylate
CID 67607696

Frequently Asked Questions

What is the IUPAC name of ethyl 7-methoxy-4-oxo-2-(3-propan-2-yloxyphenyl)-1H-quinoline-3-carboxylate?
The IUPAC name of ethyl 7-methoxy-4-oxo-2-(3-propan-2-yloxyphenyl)-1H-quinoline-3-carboxylate (CID 71453508) is ethyl 7-methoxy-4-oxo-2-(3-propan-2-yloxyphenyl)-1H-quinoline-3-carboxylate.
What is the SMILES notation for ethyl 7-methoxy-4-oxo-2-(3-propan-2-yloxyphenyl)-1H-quinoline-3-carboxylate?
The canonical SMILES for ethyl 7-methoxy-4-oxo-2-(3-propan-2-yloxyphenyl)-1H-quinoline-3-carboxylate is CCOC(=O)c1c(-c2cccc(OC(C)C)c2)[nH]c2cc(OC)ccc2c1=O.
What is the InChIKey of ethyl 7-methoxy-4-oxo-2-(3-propan-2-yloxyphenyl)-1H-quinoline-3-carboxylate?
The InChIKey is PDDZSJXMJHCERV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO5/c1-5-27-22(25)19-20(14-7-6-8-16(11-14)28-13(2)3)23-18-12-15(26-4)9-10-17(18)21(19)24/h6-13H,5H2,1-4H3,(H,23,24).
What are the key properties of ethyl 7-methoxy-4-oxo-2-(3-propan-2-yloxyphenyl)-1H-quinoline-3-carboxylate?
ethyl 7-methoxy-4-oxo-2-(3-propan-2-yloxyphenyl)-1H-quinoline-3-carboxylate has a molecular weight of 381.43 g/mol, XLogP of 4.17, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-methoxy-4-oxo-2-(3-propan-2-yloxyphenyl)-1H-quinoline-3-carboxylate is sourced from PubChem (CID 71453508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).