6-methyl-2-oxo-N-propyl-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide

C14H20N2O2 — CID 51054875

IUPAC6-methyl-2-oxo-N-propyl-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
SMILESCCCNC(=O)c1cc2c([nH]c1=O)CCC(C)C2
InChIInChI=1S/C14H20N2O2/c1-3-6-15-13(17)11-8-10-7-9(2)4-5-12(10)16-14(11)18/h8-9H,3-7H2,1-2H3,(H,15,17)(H,16,18)
InChIKeySPAPHMARFDVHGB-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.64
Rot. Bonds3

About 6-methyl-2-oxo-N-propyl-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide

6-methyl-2-oxo-N-propyl-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide (PubChem CID 51054875) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 6-methyl-2-oxo-N-propyl-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide.

Molecular Properties

Compound Name6-methyl-2-oxo-N-propyl-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
PubChem CID51054875
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name6-methyl-2-oxo-N-propyl-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
SMILESCCCNC(=O)c1cc2c([nH]c1=O)CCC(C)C2
InChIInChI=1S/C14H20N2O2/c1-3-6-15-13(17)11-8-10-7-9(2)4-5-12(10)16-14(11)18/h8-9H,3-7H2,1-2H3,(H,15,17)(H,16,18)
InChIKeySPAPHMARFDVHGB-UHFFFAOYSA-N
XLogP1.64
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-oxo-N-propyl-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
The IUPAC name of 6-methyl-2-oxo-N-propyl-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide (CID 51054875) is 6-methyl-2-oxo-N-propyl-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide.
What is the SMILES notation for 6-methyl-2-oxo-N-propyl-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
The canonical SMILES for 6-methyl-2-oxo-N-propyl-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide is CCCNC(=O)c1cc2c([nH]c1=O)CCC(C)C2.
What is the InChIKey of 6-methyl-2-oxo-N-propyl-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
The InChIKey is SPAPHMARFDVHGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-3-6-15-13(17)11-8-10-7-9(2)4-5-12(10)16-14(11)18/h8-9H,3-7H2,1-2H3,(H,15,17)(H,16,18).
What are the key properties of 6-methyl-2-oxo-N-propyl-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
6-methyl-2-oxo-N-propyl-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide has a molecular weight of 248.33 g/mol, XLogP of 1.64, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-oxo-N-propyl-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide is sourced from PubChem (CID 51054875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).