3,4-dibutyl-2-oxoquinoline-1-carboxamide

C18H24N2O2 — CID 121348479

IUPAC3,4-dibutyl-2-oxoquinoline-1-carboxamide
SMILESCCCCc1c(CCCC)c2ccccc2n(C(N)=O)c1=O
InChIInChI=1S/C18H24N2O2/c1-3-5-9-13-14-11-7-8-12-16(14)20(18(19)22)17(21)15(13)10-6-4-2/h7-8,11-12H,3-6,9-10H2,1-2H3,(H2,19,22)
InChIKeyIDFPLFOKUJPEFP-UHFFFAOYSA-N
MW300.40 g/mol
LogP3.61
Rot. Bonds6

About 3,4-dibutyl-2-oxoquinoline-1-carboxamide

3,4-dibutyl-2-oxoquinoline-1-carboxamide (PubChem CID 121348479) has the molecular formula C18H24N2O2 and a molecular weight of 300.40 g/mol. Its IUPAC name is 3,4-dibutyl-2-oxoquinoline-1-carboxamide.

Molecular Properties

Compound Name3,4-dibutyl-2-oxoquinoline-1-carboxamide
PubChem CID121348479
Molecular FormulaC18H24N2O2
Molecular Weight300.40 g/mol
Exact Mass300.18
IUPAC Name3,4-dibutyl-2-oxoquinoline-1-carboxamide
SMILESCCCCc1c(CCCC)c2ccccc2n(C(N)=O)c1=O
InChIInChI=1S/C18H24N2O2/c1-3-5-9-13-14-11-7-8-12-16(14)20(18(19)22)17(21)15(13)10-6-4-2/h7-8,11-12H,3-6,9-10H2,1-2H3,(H2,19,22)
InChIKeyIDFPLFOKUJPEFP-UHFFFAOYSA-N
XLogP3.61
TPSA65.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 67810803
9,10-dibutylanthracene
CID 605822
3-butyl-4-chloro-1-phenylquinolin-2-one
CID 139216420
3,4-dibutylnaphthalene-1,2-dicarboxylic acid
CID 19809825
methyl 2-butyl-3-[(E)-4-chlorobut-2-enyl]indole-1-carboxylate
CID 14066678
9-butyl-10-methylanthracene
CID 22754688
4-hydroxy-1-methyl-3-nonylquinolin-2-one
CID 54687613
4-heptyl-2,3-dihydroxyisoquinolin-1-one
CID 51042136
1,2,3,4,6,11-hexabutyltetracene
CID 102079773
carbazole-1,9-dicarboxamide
CID 141418559
1-(4-butoxybenzoyl)-2-methylindole-3-carboxamide
CID 91690683
methyl 2-butyl-3-[(2E)-penta-2,4-dienyl]indole-1-carboxylate
CID 14066683

Frequently Asked Questions

What is the IUPAC name of 3,4-dibutyl-2-oxoquinoline-1-carboxamide?
The IUPAC name of 3,4-dibutyl-2-oxoquinoline-1-carboxamide (CID 121348479) is 3,4-dibutyl-2-oxoquinoline-1-carboxamide.
What is the SMILES notation for 3,4-dibutyl-2-oxoquinoline-1-carboxamide?
The canonical SMILES for 3,4-dibutyl-2-oxoquinoline-1-carboxamide is CCCCc1c(CCCC)c2ccccc2n(C(N)=O)c1=O.
What is the InChIKey of 3,4-dibutyl-2-oxoquinoline-1-carboxamide?
The InChIKey is IDFPLFOKUJPEFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2/c1-3-5-9-13-14-11-7-8-12-16(14)20(18(19)22)17(21)15(13)10-6-4-2/h7-8,11-12H,3-6,9-10H2,1-2H3,(H2,19,22).
What are the key properties of 3,4-dibutyl-2-oxoquinoline-1-carboxamide?
3,4-dibutyl-2-oxoquinoline-1-carboxamide has a molecular weight of 300.40 g/mol, XLogP of 3.61, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dibutyl-2-oxoquinoline-1-carboxamide is sourced from PubChem (CID 121348479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).