N-ethyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide

C19H26N4O3 — CID 50964712

IUPACN-ethyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
SMILESCCN(Cc1noc(CC(C)C)n1)C(=O)c1cc2c([nH]c1=O)CCCC2
InChIInChI=1S/C19H26N4O3/c1-4-23(11-16-21-17(26-22-16)9-12(2)3)19(25)14-10-13-7-5-6-8-15(13)20-18(14)24/h10,12H,4-9,11H2,1-3H3,(H,20,24)
InChIKeyBAMVXNMWILODAJ-UHFFFAOYSA-N
MW358.44 g/mol
LogP2.50
Rot. Bonds6

About N-ethyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide

N-ethyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide (PubChem CID 50964712) has the molecular formula C19H26N4O3 and a molecular weight of 358.44 g/mol. Its IUPAC name is N-ethyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
PubChem CID50964712
Molecular FormulaC19H26N4O3
Molecular Weight358.44 g/mol
Exact Mass358.20
IUPAC NameN-ethyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
SMILESCCN(Cc1noc(CC(C)C)n1)C(=O)c1cc2c([nH]c1=O)CCCC2
InChIInChI=1S/C19H26N4O3/c1-4-23(11-16-21-17(26-22-16)9-12(2)3)19(25)14-10-13-7-5-6-8-15(13)20-18(14)24/h10,12H,4-9,11H2,1-3H3,(H,20,24)
InChIKeyBAMVXNMWILODAJ-UHFFFAOYSA-N
XLogP2.50
TPSA92.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
The IUPAC name of N-ethyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide (CID 50964712) is N-ethyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide.
What is the SMILES notation for N-ethyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
The canonical SMILES for N-ethyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide is CCN(Cc1noc(CC(C)C)n1)C(=O)c1cc2c([nH]c1=O)CCCC2.
What is the InChIKey of N-ethyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
The InChIKey is BAMVXNMWILODAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O3/c1-4-23(11-16-21-17(26-22-16)9-12(2)3)19(25)14-10-13-7-5-6-8-15(13)20-18(14)24/h10,12H,4-9,11H2,1-3H3,(H,20,24).
What are the key properties of N-ethyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
N-ethyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide has a molecular weight of 358.44 g/mol, XLogP of 2.50, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide is sourced from PubChem (CID 50964712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).