N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-(5-methylfuran-2-yl)quinoline-4-carboxamide

C25H23N3O3 — CID 7535629

IUPACN-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-(5-methylfuran-2-yl)quinoline-4-carboxamide
SMILESCc1ccc(-c2cc(C(=O)NCC(=O)Nc3c(C)cccc3C)c3ccccc3n2)o1
InChIInChI=1S/C25H23N3O3/c1-15-7-6-8-16(2)24(15)28-23(29)14-26-25(30)19-13-21(22-12-11-17(3)31-22)27-20-10-5-4-9-18(19)20/h4-13H,14H2,1-3H3,(H,26,30)(H,28,29)
InChIKeyLLQIGZPGSKQORS-UHFFFAOYSA-N
MW413.48 g/mol
LogP4.79
Rot. Bonds5

About N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-(5-methylfuran-2-yl)quinoline-4-carboxamide

N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-(5-methylfuran-2-yl)quinoline-4-carboxamide (PubChem CID 7535629) has the molecular formula C25H23N3O3 and a molecular weight of 413.48 g/mol. Its IUPAC name is N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-(5-methylfuran-2-yl)quinoline-4-carboxamide.

Molecular Properties

Compound NameN-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-(5-methylfuran-2-yl)quinoline-4-carboxamide
PubChem CID7535629
Molecular FormulaC25H23N3O3
Molecular Weight413.48 g/mol
Exact Mass413.17
IUPAC NameN-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-(5-methylfuran-2-yl)quinoline-4-carboxamide
SMILESCc1ccc(-c2cc(C(=O)NCC(=O)Nc3c(C)cccc3C)c3ccccc3n2)o1
InChIInChI=1S/C25H23N3O3/c1-15-7-6-8-16(2)24(15)28-23(29)14-26-25(30)19-13-21(22-12-11-17(3)31-22)27-20-10-5-4-9-18(19)20/h4-13H,14H2,1-3H3,(H,26,30)(H,28,29)
InChIKeyLLQIGZPGSKQORS-UHFFFAOYSA-N
XLogP4.79
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.48
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(ethylamino)-2-oxoethyl]-2-(5-methylfuran-2-yl)quinoline-4-carboxamide
CID 18145630
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-methylquinoline-4-carboxamide
CID 4786592
2-(5-methylfuran-2-yl)-N-[7-[[2-(5-methylfuran-2-yl)quinoline-4-carbonyl]amino]heptyl]quinoline-4-carboxamide
CID 4639931
2-(5-methylfuran-2-yl)-N-(2-methylpropyl)quinoline-4-carboxamide
CID 3421567
2-(5-methylfuran-2-yl)-N-prop-2-enylquinoline-4-carboxamide
CID 3420064
N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-2-phenylquinoline-4-carboxamide
CID 26713872
N-[2-(dimethylamino)ethyl]-2-(5-methylfuran-2-yl)quinoline-4-carboxamide
CID 71572132
N-(3,5-dimethylphenyl)-2-(5-methylfuran-2-yl)quinoline-4-carboxamide
CID 1222302
2-(5-methylfuran-2-yl)quinoline-4-carboxamide
CID 913140
N-[(3,4-dichlorophenyl)methyl]-2-(5-methylfuran-2-yl)quinoline-4-carboxamide
CID 1220612
N-[(2R)-2-(dimethylamino)-2-phenylethyl]-2-(5-methylfuran-2-yl)quinoline-4-carboxamide
CID 2483564
N-ethoxy-2-(5-methylfuran-2-yl)quinoline-4-carboxamide
CID 18168945

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-(5-methylfuran-2-yl)quinoline-4-carboxamide?
The IUPAC name of N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-(5-methylfuran-2-yl)quinoline-4-carboxamide (CID 7535629) is N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-(5-methylfuran-2-yl)quinoline-4-carboxamide.
What is the SMILES notation for N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-(5-methylfuran-2-yl)quinoline-4-carboxamide?
The canonical SMILES for N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-(5-methylfuran-2-yl)quinoline-4-carboxamide is Cc1ccc(-c2cc(C(=O)NCC(=O)Nc3c(C)cccc3C)c3ccccc3n2)o1.
What is the InChIKey of N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-(5-methylfuran-2-yl)quinoline-4-carboxamide?
The InChIKey is LLQIGZPGSKQORS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O3/c1-15-7-6-8-16(2)24(15)28-23(29)14-26-25(30)19-13-21(22-12-11-17(3)31-22)27-20-10-5-4-9-18(19)20/h4-13H,14H2,1-3H3,(H,26,30)(H,28,29).
What are the key properties of N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-(5-methylfuran-2-yl)quinoline-4-carboxamide?
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-(5-methylfuran-2-yl)quinoline-4-carboxamide has a molecular weight of 413.48 g/mol, XLogP of 4.79, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-(5-methylfuran-2-yl)quinoline-4-carboxamide is sourced from PubChem (CID 7535629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).