methyl 1-butyl-2,5-dioxo-7,8-dihydro-6H-quinoline-3-carboxylate

C15H19NO4 — CID 44825792

IUPACmethyl 1-butyl-2,5-dioxo-7,8-dihydro-6H-quinoline-3-carboxylate
SMILESCCCCn1c2c(cc(C(=O)OC)c1=O)C(=O)CCC2
InChIInChI=1S/C15H19NO4/c1-3-4-8-16-12-6-5-7-13(17)10(12)9-11(14(16)18)15(19)20-2/h9H,3-8H2,1-2H3
InChIKeyVAZPNFKAJHNEHJ-UHFFFAOYSA-N
MW277.32 g/mol
LogP1.95
Rot. Bonds4

About methyl 1-butyl-2,5-dioxo-7,8-dihydro-6H-quinoline-3-carboxylate

methyl 1-butyl-2,5-dioxo-7,8-dihydro-6H-quinoline-3-carboxylate (PubChem CID 44825792) has the molecular formula C15H19NO4 and a molecular weight of 277.32 g/mol. Its IUPAC name is methyl 1-butyl-2,5-dioxo-7,8-dihydro-6H-quinoline-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-butyl-2,5-dioxo-7,8-dihydro-6H-quinoline-3-carboxylate
PubChem CID44825792
Molecular FormulaC15H19NO4
Molecular Weight277.32 g/mol
Exact Mass277.13
IUPAC Namemethyl 1-butyl-2,5-dioxo-7,8-dihydro-6H-quinoline-3-carboxylate
SMILESCCCCn1c2c(cc(C(=O)OC)c1=O)C(=O)CCC2
InChIInChI=1S/C15H19NO4/c1-3-4-8-16-12-6-5-7-13(17)10(12)9-11(14(16)18)15(19)20-2/h9H,3-8H2,1-2H3
InChIKeyVAZPNFKAJHNEHJ-UHFFFAOYSA-N
XLogP1.95
TPSA65.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 1-butyl-2,5-dioxo-7,8-dihydro-6H-quinoline-3-carboxylate with MolForge

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Related Compounds

Methyl 2,5-dioxo-1,2,5,6,7,8-hexahydroquinoline-3-carboxylate
CID 16653142
Ethyl 2,5-dioxo-1,2,5,6,7,8-hexahydroquinoline-3-carboxylate
CID 13133976
1-Butyl-2-oxo-1,2,5,6,7,8-hexahydroquinoline-3-carboxylic acid methyl ester
CID 14449901
ethyl 1-methyl-2,5-dioxo-7,8-dihydro-6H-quinoline-3-carboxylate
CID 19985997
Methyl 1-methyl-2-oxo-5,6,7,8-tetrahydroquinoline-3-carboxylate
CID 59865138
Ethyl 1-butyl-2-oxo-5,6,7,8-tetrahydroquinoline-3-carboxylate
CID 69034792
ethyl 1-(methoxymethyl)-2,5-dioxo-7,8-dihydro-6H-quinoline-3-carboxylate
CID 140358557
Ethyl 5-acetyl-1-cyclohexyl-6-methyl-2-oxopyridine-3-carboxylate
CID 141755156
Ethyl 5-acetyl-1-butyl-6-methyl-2-oxopyridine-3-carboxylate
CID 151045965
methyl 1,6,6-trimethyl-2-oxo-7,8-dihydro-5H-quinoline-3-carboxylate
CID 167510775
Methyl 1,6-dimethyl-2-oxo-5,6,7,8-tetrahydroquinoline-3-carboxylate
CID 177940575
2,5-dioxo-1-propan-2-yl-7,8-dihydro-6H-quinoline-3-carboxylic acid
CID 10467232

Frequently Asked Questions

What is the IUPAC name of methyl 1-butyl-2,5-dioxo-7,8-dihydro-6H-quinoline-3-carboxylate?
The IUPAC name of methyl 1-butyl-2,5-dioxo-7,8-dihydro-6H-quinoline-3-carboxylate (CID 44825792) is methyl 1-butyl-2,5-dioxo-7,8-dihydro-6H-quinoline-3-carboxylate.
What is the SMILES notation for methyl 1-butyl-2,5-dioxo-7,8-dihydro-6H-quinoline-3-carboxylate?
The canonical SMILES for methyl 1-butyl-2,5-dioxo-7,8-dihydro-6H-quinoline-3-carboxylate is CCCCn1c2c(cc(C(=O)OC)c1=O)C(=O)CCC2.
What is the InChIKey of methyl 1-butyl-2,5-dioxo-7,8-dihydro-6H-quinoline-3-carboxylate?
The InChIKey is VAZPNFKAJHNEHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO4/c1-3-4-8-16-12-6-5-7-13(17)10(12)9-11(14(16)18)15(19)20-2/h9H,3-8H2,1-2H3.
What are the key properties of methyl 1-butyl-2,5-dioxo-7,8-dihydro-6H-quinoline-3-carboxylate?
methyl 1-butyl-2,5-dioxo-7,8-dihydro-6H-quinoline-3-carboxylate has a molecular weight of 277.32 g/mol, XLogP of 1.95, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-butyl-2,5-dioxo-7,8-dihydro-6H-quinoline-3-carboxylate is sourced from PubChem (CID 44825792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).