N-(3-methylbutyl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide

C15H20N2O3 — CID 33330369

IUPACN-(3-methylbutyl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide
SMILESCC(C)CCNC(=O)c1cc2c([nH]c1=O)CCCC2=O
InChIInChI=1S/C15H20N2O3/c1-9(2)6-7-16-14(19)11-8-10-12(17-15(11)20)4-3-5-13(10)18/h8-9H,3-7H2,1-2H3,(H,16,19)(H,17,20)
InChIKeyILBWJOMEOXDPPJ-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.67
Rot. Bonds4

About N-(3-methylbutyl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide

N-(3-methylbutyl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide (PubChem CID 33330369) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is N-(3-methylbutyl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide.

Molecular Properties

Compound NameN-(3-methylbutyl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide
PubChem CID33330369
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC NameN-(3-methylbutyl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide
SMILESCC(C)CCNC(=O)c1cc2c([nH]c1=O)CCCC2=O
InChIInChI=1S/C15H20N2O3/c1-9(2)6-7-16-14(19)11-8-10-12(17-15(11)20)4-3-5-13(10)18/h8-9H,3-7H2,1-2H3,(H,16,19)(H,17,20)
InChIKeyILBWJOMEOXDPPJ-UHFFFAOYSA-N
XLogP1.67
TPSA79.03 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutyl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide?
The IUPAC name of N-(3-methylbutyl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide (CID 33330369) is N-(3-methylbutyl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide.
What is the SMILES notation for N-(3-methylbutyl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide?
The canonical SMILES for N-(3-methylbutyl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide is CC(C)CCNC(=O)c1cc2c([nH]c1=O)CCCC2=O.
What is the InChIKey of N-(3-methylbutyl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide?
The InChIKey is ILBWJOMEOXDPPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-9(2)6-7-16-14(19)11-8-10-12(17-15(11)20)4-3-5-13(10)18/h8-9H,3-7H2,1-2H3,(H,16,19)(H,17,20).
What are the key properties of N-(3-methylbutyl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide?
N-(3-methylbutyl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide has a molecular weight of 276.34 g/mol, XLogP of 1.67, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutyl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide is sourced from PubChem (CID 33330369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).