ethyl 2-(4-methoxyphenyl)-4-oxo-1H-quinoline-3-carboxylate

C19H17NO4 — CID 3022167

IUPACethyl 2-(4-methoxyphenyl)-4-oxo-1H-quinoline-3-carboxylate
SMILESCCOC(=O)c1c(-c2ccc(OC)cc2)[nH]c2ccccc2c1=O
InChIInChI=1S/C19H17NO4/c1-3-24-19(22)16-17(12-8-10-13(23-2)11-9-12)20-15-7-5-4-6-14(15)18(16)21/h4-11H,3H2,1-2H3,(H,20,21)
InChIKeyDNPHCWRYACLBDX-UHFFFAOYSA-N
MW323.35 g/mol
LogP3.38
Rot. Bonds4

About ethyl 2-(4-methoxyphenyl)-4-oxo-1H-quinoline-3-carboxylate

ethyl 2-(4-methoxyphenyl)-4-oxo-1H-quinoline-3-carboxylate (PubChem CID 3022167) has the molecular formula C19H17NO4 and a molecular weight of 323.35 g/mol. Its IUPAC name is ethyl 2-(4-methoxyphenyl)-4-oxo-1H-quinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-(4-methoxyphenyl)-4-oxo-1H-quinoline-3-carboxylate
PubChem CID3022167
Molecular FormulaC19H17NO4
Molecular Weight323.35 g/mol
Exact Mass323.12
IUPAC Nameethyl 2-(4-methoxyphenyl)-4-oxo-1H-quinoline-3-carboxylate
SMILESCCOC(=O)c1c(-c2ccc(OC)cc2)[nH]c2ccccc2c1=O
InChIInChI=1S/C19H17NO4/c1-3-24-19(22)16-17(12-8-10-13(23-2)11-9-12)20-15-7-5-4-6-14(15)18(16)21/h4-11H,3H2,1-2H3,(H,20,21)
InChIKeyDNPHCWRYACLBDX-UHFFFAOYSA-N
XLogP3.38
TPSA68.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-oxo-2-[4-[4-(trifluoromethoxy)phenyl]phenyl]-1H-quinoline-3-carboxylate
CID 67607592
ethyl 2-(4-tert-butylphenyl)-7-methoxy-4-oxo-1H-quinoline-3-carboxylate
CID 46884105
ethyl 2-[(4-methoxyphenyl)methylsulfanyl]-4-oxo-1H-quinoline-3-carboxylate
CID 14885000
ethyl 2-(3,4-dichlorophenyl)-7-methoxy-4-oxo-1H-quinoline-3-carboxylate
CID 46884108
ethyl 2-(2-chlorophenyl)-6-methoxy-4-oxo-1H-quinoline-3-carboxylate
CID 22480990
ethyl 7-methoxy-4-oxo-2-(3-propan-2-yloxyphenyl)-1H-quinoline-3-carboxylate
CID 71453508
ethyl 4-oxo-2-[6-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]-1H-quinoline-3-carboxylate
CID 67889905
3-chloro-2-(4-methoxyphenyl)-1H-quinolin-4-one
CID 70694151
ethyl 3-(4-methoxyphenoxy)-1H-indole-2-carboxylate
CID 86224566
ethyl 7-chloro-4-oxo-2-[4-[4-(trifluoromethoxy)phenoxy]phenyl]-1H-quinoline-3-carboxylate
CID 67607696
ethyl 2-amino-1H-indole-3-carboxylate
CID 1476606
methyl 4-[2-(4-methoxyphenyl)-1H-indol-3-yl]benzoate
CID 71517932

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-methoxyphenyl)-4-oxo-1H-quinoline-3-carboxylate?
The IUPAC name of ethyl 2-(4-methoxyphenyl)-4-oxo-1H-quinoline-3-carboxylate (CID 3022167) is ethyl 2-(4-methoxyphenyl)-4-oxo-1H-quinoline-3-carboxylate.
What is the SMILES notation for ethyl 2-(4-methoxyphenyl)-4-oxo-1H-quinoline-3-carboxylate?
The canonical SMILES for ethyl 2-(4-methoxyphenyl)-4-oxo-1H-quinoline-3-carboxylate is CCOC(=O)c1c(-c2ccc(OC)cc2)[nH]c2ccccc2c1=O.
What is the InChIKey of ethyl 2-(4-methoxyphenyl)-4-oxo-1H-quinoline-3-carboxylate?
The InChIKey is DNPHCWRYACLBDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO4/c1-3-24-19(22)16-17(12-8-10-13(23-2)11-9-12)20-15-7-5-4-6-14(15)18(16)21/h4-11H,3H2,1-2H3,(H,20,21).
What are the key properties of ethyl 2-(4-methoxyphenyl)-4-oxo-1H-quinoline-3-carboxylate?
ethyl 2-(4-methoxyphenyl)-4-oxo-1H-quinoline-3-carboxylate has a molecular weight of 323.35 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-methoxyphenyl)-4-oxo-1H-quinoline-3-carboxylate is sourced from PubChem (CID 3022167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).