ethyl 4-[bis(prop-2-enyl)amino]-1-methyl-2-oxoquinoline-3-carboxylate

C19H22N2O3 — CID 12737473

IUPACethyl 4-[bis(prop-2-enyl)amino]-1-methyl-2-oxoquinoline-3-carboxylate
SMILESC=CCN(CC=C)c1c(C(=O)OCC)c(=O)n(C)c2ccccc12
InChIInChI=1S/C19H22N2O3/c1-5-12-21(13-6-2)17-14-10-8-9-11-15(14)20(4)18(22)16(17)19(23)24-7-3/h5-6,8-11H,1-2,7,12-13H2,3-4H3
InChIKeyDULGGPFAJVQPJL-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.89
Rot. Bonds7

About ethyl 4-[bis(prop-2-enyl)amino]-1-methyl-2-oxoquinoline-3-carboxylate

ethyl 4-[bis(prop-2-enyl)amino]-1-methyl-2-oxoquinoline-3-carboxylate (PubChem CID 12737473) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is ethyl 4-[bis(prop-2-enyl)amino]-1-methyl-2-oxoquinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-[bis(prop-2-enyl)amino]-1-methyl-2-oxoquinoline-3-carboxylate
PubChem CID12737473
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC Nameethyl 4-[bis(prop-2-enyl)amino]-1-methyl-2-oxoquinoline-3-carboxylate
SMILESC=CCN(CC=C)c1c(C(=O)OCC)c(=O)n(C)c2ccccc12
InChIInChI=1S/C19H22N2O3/c1-5-12-21(13-6-2)17-14-10-8-9-11-15(14)20(4)18(22)16(17)19(23)24-7-3/h5-6,8-11H,1-2,7,12-13H2,3-4H3
InChIKeyDULGGPFAJVQPJL-UHFFFAOYSA-N
XLogP2.89
TPSA51.54 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethyl 4-[(2-methoxy-2-oxoethyl)-methylamino]-1-methyl-2-oxoquinoline-3-carboxylate
CID 71010244
sodium 3-ethoxycarbonyl-1-methyl-2-oxoquinolin-4-olate
CID 134113066
ethyl 4-(4-chloroanilino)-1-methyl-2-oxoquinoline-3-carboxylate
CID 3058687
ethyl 1-(dimethylcarbamoyl)-2-prop-2-enylindole-3-carboxylate
CID 72543908
ethyl 2-[(4-hydroxy-1-methyl-2-oxoquinoline-3-carbonyl)amino]benzoate
CID 54688157
ethyl 4-[4-(furan-3-ylmethyl)piperazin-1-yl]-1-methyl-2-oxoquinoline-3-carboxylate
CID 23543990
ethane;ethyl 1,3-dimethylindole-2-carboxylate
CID 90852450
ethyl 4-[4-(isoquinoline-1-carbonyl)piperazin-1-yl]-1-methyl-2-oxoquinoline-3-carboxylate
CID 23543991
ethyl 4-[4-(4-methoxybenzoyl)piperazin-1-yl]-1-methyl-2-oxoquinoline-3-carboxylate;methane
CID 158967895
ethyl 3-methoxy-1-methylindole-2-carboxylate
CID 12619890
diethyl phenanthrene-9,10-dicarboxylate
CID 135029572
ethyl 1-methyl-3-(2-oxoethyl)indole-2-carboxylate
CID 12868769

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[bis(prop-2-enyl)amino]-1-methyl-2-oxoquinoline-3-carboxylate?
The IUPAC name of ethyl 4-[bis(prop-2-enyl)amino]-1-methyl-2-oxoquinoline-3-carboxylate (CID 12737473) is ethyl 4-[bis(prop-2-enyl)amino]-1-methyl-2-oxoquinoline-3-carboxylate.
What is the SMILES notation for ethyl 4-[bis(prop-2-enyl)amino]-1-methyl-2-oxoquinoline-3-carboxylate?
The canonical SMILES for ethyl 4-[bis(prop-2-enyl)amino]-1-methyl-2-oxoquinoline-3-carboxylate is C=CCN(CC=C)c1c(C(=O)OCC)c(=O)n(C)c2ccccc12.
What is the InChIKey of ethyl 4-[bis(prop-2-enyl)amino]-1-methyl-2-oxoquinoline-3-carboxylate?
The InChIKey is DULGGPFAJVQPJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-5-12-21(13-6-2)17-14-10-8-9-11-15(14)20(4)18(22)16(17)19(23)24-7-3/h5-6,8-11H,1-2,7,12-13H2,3-4H3.
What are the key properties of ethyl 4-[bis(prop-2-enyl)amino]-1-methyl-2-oxoquinoline-3-carboxylate?
ethyl 4-[bis(prop-2-enyl)amino]-1-methyl-2-oxoquinoline-3-carboxylate has a molecular weight of 326.40 g/mol, XLogP of 2.89, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[bis(prop-2-enyl)amino]-1-methyl-2-oxoquinoline-3-carboxylate is sourced from PubChem (CID 12737473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).