[2-[bis(prop-2-enyl)amino]-2-oxoethyl] 2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate

C18H20N2O4 — CID 18101092

IUPAC[2-[bis(prop-2-enyl)amino]-2-oxoethyl] 2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate
SMILESC=CCN(CC=C)C(=O)COC(=O)c1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C18H20N2O4/c1-3-9-20(10-4-2)17(22)12-24-18(23)14-5-7-15-13(11-14)6-8-16(21)19-15/h3-5,7,11H,1-2,6,8-10,12H2,(H,19,21)
InChIKeyLRPKTCNDGRHGIP-UHFFFAOYSA-N
MW328.37 g/mol
LogP1.93
Rot. Bonds7

About [2-[bis(prop-2-enyl)amino]-2-oxoethyl] 2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate

[2-[bis(prop-2-enyl)amino]-2-oxoethyl] 2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate (PubChem CID 18101092) has the molecular formula C18H20N2O4 and a molecular weight of 328.37 g/mol. Its IUPAC name is [2-[bis(prop-2-enyl)amino]-2-oxoethyl] 2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate.

Molecular Properties

Compound Name[2-[bis(prop-2-enyl)amino]-2-oxoethyl] 2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate
PubChem CID18101092
Molecular FormulaC18H20N2O4
Molecular Weight328.37 g/mol
Exact Mass328.14
IUPAC Name[2-[bis(prop-2-enyl)amino]-2-oxoethyl] 2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate
SMILESC=CCN(CC=C)C(=O)COC(=O)c1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C18H20N2O4/c1-3-9-20(10-4-2)17(22)12-24-18(23)14-5-7-15-13(11-14)6-8-16(21)19-15/h3-5,7,11H,1-2,6,8-10,12H2,(H,19,21)
InChIKeyLRPKTCNDGRHGIP-UHFFFAOYSA-N
XLogP1.93
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate
CID 9451992
(4-fluorophenyl)methyl 2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate
CID 18101048
(2-morpholin-4-yl-2-oxoethyl) 2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate
CID 18101051
2-(4-ethoxyphenoxy)ethyl 2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate
CID 17483624
[2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl] 3-ethoxy-4-methoxybenzoate
CID 9484719
[2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl] 4-[ethyl(methyl)amino]benzoate
CID 71884386
[2-[bis(prop-2-enyl)amino]-2-oxoethyl] pyridazine-4-carboxylate
CID 75391757
[2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl] 3,5-dichloro-4-methoxybenzoate
CID 9126270
4-(1,3-dioxoisoindol-2-yl)butyl 2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate
CID 46646113
2-(3-methylphenoxy)ethyl 2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate
CID 46646110
[2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl] 4-(acetamidomethyl)benzoate
CID 46818941
[2-[1-(2-methylphenyl)ethylamino]-2-oxoethyl] 2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate
CID 18101136

Frequently Asked Questions

What is the IUPAC name of [2-[bis(prop-2-enyl)amino]-2-oxoethyl] 2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate?
The IUPAC name of [2-[bis(prop-2-enyl)amino]-2-oxoethyl] 2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate (CID 18101092) is [2-[bis(prop-2-enyl)amino]-2-oxoethyl] 2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate.
What is the SMILES notation for [2-[bis(prop-2-enyl)amino]-2-oxoethyl] 2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate?
The canonical SMILES for [2-[bis(prop-2-enyl)amino]-2-oxoethyl] 2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate is C=CCN(CC=C)C(=O)COC(=O)c1ccc2c(c1)CCC(=O)N2.
What is the InChIKey of [2-[bis(prop-2-enyl)amino]-2-oxoethyl] 2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate?
The InChIKey is LRPKTCNDGRHGIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4/c1-3-9-20(10-4-2)17(22)12-24-18(23)14-5-7-15-13(11-14)6-8-16(21)19-15/h3-5,7,11H,1-2,6,8-10,12H2,(H,19,21).
What are the key properties of [2-[bis(prop-2-enyl)amino]-2-oxoethyl] 2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate?
[2-[bis(prop-2-enyl)amino]-2-oxoethyl] 2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate has a molecular weight of 328.37 g/mol, XLogP of 1.93, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[bis(prop-2-enyl)amino]-2-oxoethyl] 2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate is sourced from PubChem (CID 18101092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).