N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide

C16H21N3O3 — CID 134006789

IUPACN-ethyl-N-[2-(ethylamino)-2-oxoethyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
SMILESCCNC(=O)CN(CC)C(=O)C1CC(=O)Nc2ccccc21
InChIInChI=1S/C16H21N3O3/c1-3-17-15(21)10-19(4-2)16(22)12-9-14(20)18-13-8-6-5-7-11(12)13/h5-8,12H,3-4,9-10H2,1-2H3,(H,17,21)(H,18,20)
InChIKeyXHPQVPNFXXIYQB-UHFFFAOYSA-N
MW303.36 g/mol
LogP1.10
Rot. Bonds5

About N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide

N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide (PubChem CID 134006789) has the molecular formula C16H21N3O3 and a molecular weight of 303.36 g/mol. Its IUPAC name is N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-[2-(ethylamino)-2-oxoethyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
PubChem CID134006789
Molecular FormulaC16H21N3O3
Molecular Weight303.36 g/mol
Exact Mass303.16
IUPAC NameN-ethyl-N-[2-(ethylamino)-2-oxoethyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
SMILESCCNC(=O)CN(CC)C(=O)C1CC(=O)Nc2ccccc21
InChIInChI=1S/C16H21N3O3/c1-3-17-15(21)10-19(4-2)16(22)12-9-14(20)18-13-8-6-5-7-11(12)13/h5-8,12H,3-4,9-10H2,1-2H3,(H,17,21)(H,18,20)
InChIKeyXHPQVPNFXXIYQB-UHFFFAOYSA-N
XLogP1.10
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?
The IUPAC name of N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide (CID 134006789) is N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide.
What is the SMILES notation for N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?
The canonical SMILES for N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide is CCNC(=O)CN(CC)C(=O)C1CC(=O)Nc2ccccc21.
What is the InChIKey of N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?
The InChIKey is XHPQVPNFXXIYQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3/c1-3-17-15(21)10-19(4-2)16(22)12-9-14(20)18-13-8-6-5-7-11(12)13/h5-8,12H,3-4,9-10H2,1-2H3,(H,17,21)(H,18,20).
What are the key properties of N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?
N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide has a molecular weight of 303.36 g/mol, XLogP of 1.10, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide is sourced from PubChem (CID 134006789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).