methyl 4-amino-7-ethenyl-2-oxo-1-phenylquinoline-3-carboxylate

C19H16N2O3 — CID 169207377

IUPACmethyl 4-amino-7-ethenyl-2-oxo-1-phenylquinoline-3-carboxylate
SMILESC=Cc1ccc2c(N)c(C(=O)OC)c(=O)n(-c3ccccc3)c2c1
InChIInChI=1S/C19H16N2O3/c1-3-12-9-10-14-15(11-12)21(13-7-5-4-6-8-13)18(22)16(17(14)20)19(23)24-2/h3-11H,1,20H2,2H3
InChIKeyZCEJUMSPRJYWDV-UHFFFAOYSA-N
MW320.35 g/mol
LogP3.00
Rot. Bonds3

About methyl 4-amino-7-ethenyl-2-oxo-1-phenylquinoline-3-carboxylate

methyl 4-amino-7-ethenyl-2-oxo-1-phenylquinoline-3-carboxylate (PubChem CID 169207377) has the molecular formula C19H16N2O3 and a molecular weight of 320.35 g/mol. Its IUPAC name is methyl 4-amino-7-ethenyl-2-oxo-1-phenylquinoline-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-amino-7-ethenyl-2-oxo-1-phenylquinoline-3-carboxylate
PubChem CID169207377
Molecular FormulaC19H16N2O3
Molecular Weight320.35 g/mol
Exact Mass320.12
IUPAC Namemethyl 4-amino-7-ethenyl-2-oxo-1-phenylquinoline-3-carboxylate
SMILESC=Cc1ccc2c(N)c(C(=O)OC)c(=O)n(-c3ccccc3)c2c1
InChIInChI=1S/C19H16N2O3/c1-3-12-9-10-14-15(11-12)21(13-7-5-4-6-8-13)18(22)16(17(14)20)19(23)24-2/h3-11H,1,20H2,2H3
InChIKeyZCEJUMSPRJYWDV-UHFFFAOYSA-N
XLogP3.00
TPSA74.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-amino-7-chloro-2-oxo-1-phenylquinoline-3-carboxylate
CID 169207153
methyl 4-amino-7-bromo-2-oxo-1-phenylquinoline-3-carboxylate
CID 169207083
methyl 4-amino-6-bromo-2-oxo-1-phenylquinoline-3-carboxylate
CID 169207169
methyl 4-amino-2-oxo-1-phenyl-7-(2,2,2-trifluoroethoxy)quinoline-3-carboxylate
CID 169207093
4-(4-amino-7-bromo-3-methoxycarbonyl-2-oxoquinolin-1-yl)benzoic acid
CID 169207280
methyl 4-amino-7-chloro-1-(2-chlorophenyl)-2-oxoquinoline-3-carboxylate
CID 162518419
methyl 4-amino-1-(4-hydroxyphenyl)-2-oxo-7-(trifluoromethyl)quinoline-3-carboxylate
CID 169207314
methyl 4-amino-1-(2-aminophenyl)-7-bromo-2-oxoquinoline-3-carboxylate
CID 169207070
methyl 4-amino-7-(difluoromethoxy)-1-[4-(1-hydroxyethyl)phenyl]-2-oxoquinoline-3-carboxylate
CID 169207180
methyl 4-amino-7-iodo-2-oxo-1-(1-phenylethyl)quinoline-3-carboxylate
CID 169207004
methyl 4-amino-1-[6-(1-hydroxyethyl)-3-pyridinyl]-7-iodo-2-oxoquinoline-3-carboxylate
CID 169207047
methyl 4-amino-7-bromo-2-oxo-1-quinoxalin-6-ylquinoline-3-carboxylate
CID 169207373

Frequently Asked Questions

What is the IUPAC name of methyl 4-amino-7-ethenyl-2-oxo-1-phenylquinoline-3-carboxylate?
The IUPAC name of methyl 4-amino-7-ethenyl-2-oxo-1-phenylquinoline-3-carboxylate (CID 169207377) is methyl 4-amino-7-ethenyl-2-oxo-1-phenylquinoline-3-carboxylate.
What is the SMILES notation for methyl 4-amino-7-ethenyl-2-oxo-1-phenylquinoline-3-carboxylate?
The canonical SMILES for methyl 4-amino-7-ethenyl-2-oxo-1-phenylquinoline-3-carboxylate is C=Cc1ccc2c(N)c(C(=O)OC)c(=O)n(-c3ccccc3)c2c1.
What is the InChIKey of methyl 4-amino-7-ethenyl-2-oxo-1-phenylquinoline-3-carboxylate?
The InChIKey is ZCEJUMSPRJYWDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O3/c1-3-12-9-10-14-15(11-12)21(13-7-5-4-6-8-13)18(22)16(17(14)20)19(23)24-2/h3-11H,1,20H2,2H3.
What are the key properties of methyl 4-amino-7-ethenyl-2-oxo-1-phenylquinoline-3-carboxylate?
methyl 4-amino-7-ethenyl-2-oxo-1-phenylquinoline-3-carboxylate has a molecular weight of 320.35 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-amino-7-ethenyl-2-oxo-1-phenylquinoline-3-carboxylate is sourced from PubChem (CID 169207377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).