2,5-dioxo-1-phenyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-7,8-dihydro-6H-quinoline-3-carboxamide

C22H22N4O4 — CID 131918435

IUPAC2,5-dioxo-1-phenyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-7,8-dihydro-6H-quinoline-3-carboxamide
SMILESCC(C)c1nc(CNC(=O)c2cc3c(n(-c4ccccc4)c2=O)CCCC3=O)no1
InChIInChI=1S/C22H22N4O4/c1-13(2)21-24-19(25-30-21)12-23-20(28)16-11-15-17(9-6-10-18(15)27)26(22(16)29)14-7-4-3-5-8-14/h3-5,7-8,11,13H,6,9-10,12H2,1-2H3,(H,23,28)
InChIKeyKCVXADXLVBCWMO-UHFFFAOYSA-N
MW406.44 g/mol
LogP2.79
Rot. Bonds5

About 2,5-dioxo-1-phenyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-7,8-dihydro-6H-quinoline-3-carboxamide

2,5-dioxo-1-phenyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-7,8-dihydro-6H-quinoline-3-carboxamide (PubChem CID 131918435) has the molecular formula C22H22N4O4 and a molecular weight of 406.44 g/mol. Its IUPAC name is 2,5-dioxo-1-phenyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-7,8-dihydro-6H-quinoline-3-carboxamide.

Molecular Properties

Compound Name2,5-dioxo-1-phenyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-7,8-dihydro-6H-quinoline-3-carboxamide
PubChem CID131918435
Molecular FormulaC22H22N4O4
Molecular Weight406.44 g/mol
Exact Mass406.16
IUPAC Name2,5-dioxo-1-phenyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-7,8-dihydro-6H-quinoline-3-carboxamide
SMILESCC(C)c1nc(CNC(=O)c2cc3c(n(-c4ccccc4)c2=O)CCCC3=O)no1
InChIInChI=1S/C22H22N4O4/c1-13(2)21-24-19(25-30-21)12-23-20(28)16-11-15-17(9-6-10-18(15)27)26(22(16)29)14-7-4-3-5-8-14/h3-5,7-8,11,13H,6,9-10,12H2,1-2H3,(H,23,28)
InChIKeyKCVXADXLVBCWMO-UHFFFAOYSA-N
XLogP2.79
TPSA107.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.44
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2,5-dioxo-1-phenyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-7,8-dihydro-6H-quinoline-3-carboxamide with MolForge

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Related Compounds

2,5-dioxo-N,1-diphenyl-7,8-dihydro-6H-quinoline-3-carboxamide
CID 2054310
N-[(1R)-1-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-2,5-dioxo-1-phenyl-7,8-dihydro-6H-quinoline-3-carboxamide
CID 126444591
1-(4-chlorophenyl)-2,5-dioxo-N-phenacyl-7,8-dihydro-6H-quinoline-3-carboxamide
CID 23855524
1-(4-fluorophenyl)-2,5-dioxo-N-[(1R)-1-phenylethyl]-7,8-dihydro-6H-quinoline-3-carboxamide
CID 92881280
2,5-dioxo-N-[(3S)-2-oxothiolan-3-yl]-1-phenyl-7,8-dihydro-6H-quinoline-3-carboxamide
CID 1284511
ethyl 3-[(2,5-dioxo-1-phenyl-7,8-dihydro-6H-quinoline-3-carbonyl)amino]-3-(4-methylphenyl)propanoate
CID 5299395
N-(2-bromophenyl)-1-(4-methylphenyl)-2,5-dioxo-7,8-dihydro-6H-quinoline-3-carboxamide
CID 1293972
N-(4-methylphenyl)-2,5-dioxo-1-(4-propan-2-ylphenyl)-7,8-dihydro-6H-quinoline-3-carboxamide
CID 46382827
1-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-7,8-dihydro-6H-quinoline-2,5-dione
CID 81109277
N-butan-2-yl-2,5-dioxo-1-[4-(trifluoromethyl)phenyl]-7,8-dihydro-6H-quinoline-3-carboxamide
CID 46382852
N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-1H-indazole-3-carboxamide
CID 86285787
2-phenyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-1,3-oxazole-4-carboxamide
CID 50755040

Frequently Asked Questions

What is the IUPAC name of 2,5-dioxo-1-phenyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-7,8-dihydro-6H-quinoline-3-carboxamide?
The IUPAC name of 2,5-dioxo-1-phenyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-7,8-dihydro-6H-quinoline-3-carboxamide (CID 131918435) is 2,5-dioxo-1-phenyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-7,8-dihydro-6H-quinoline-3-carboxamide.
What is the SMILES notation for 2,5-dioxo-1-phenyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-7,8-dihydro-6H-quinoline-3-carboxamide?
The canonical SMILES for 2,5-dioxo-1-phenyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-7,8-dihydro-6H-quinoline-3-carboxamide is CC(C)c1nc(CNC(=O)c2cc3c(n(-c4ccccc4)c2=O)CCCC3=O)no1.
What is the InChIKey of 2,5-dioxo-1-phenyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-7,8-dihydro-6H-quinoline-3-carboxamide?
The InChIKey is KCVXADXLVBCWMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O4/c1-13(2)21-24-19(25-30-21)12-23-20(28)16-11-15-17(9-6-10-18(15)27)26(22(16)29)14-7-4-3-5-8-14/h3-5,7-8,11,13H,6,9-10,12H2,1-2H3,(H,23,28).
What are the key properties of 2,5-dioxo-1-phenyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-7,8-dihydro-6H-quinoline-3-carboxamide?
2,5-dioxo-1-phenyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-7,8-dihydro-6H-quinoline-3-carboxamide has a molecular weight of 406.44 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dioxo-1-phenyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-7,8-dihydro-6H-quinoline-3-carboxamide is sourced from PubChem (CID 131918435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).