N-ethyl-N-methyl-4-oxo-2-(pyrrolidine-1-carbonyl)-1H-quinoline-3-carboxamide

C18H21N3O3 — CID 59097854

IUPACN-ethyl-N-methyl-4-oxo-2-(pyrrolidine-1-carbonyl)-1H-quinoline-3-carboxamide
SMILESCCN(C)C(=O)c1c(C(=O)N2CCCC2)[nH]c2ccccc2c1=O
InChIInChI=1S/C18H21N3O3/c1-3-20(2)17(23)14-15(18(24)21-10-6-7-11-21)19-13-9-5-4-8-12(13)16(14)22/h4-5,8-9H,3,6-7,10-11H2,1-2H3,(H,19,22)
InChIKeyHXDJLRYBVVXIMR-UHFFFAOYSA-N
MW327.38 g/mol
LogP1.86
Rot. Bonds3

About N-ethyl-N-methyl-4-oxo-2-(pyrrolidine-1-carbonyl)-1H-quinoline-3-carboxamide

N-ethyl-N-methyl-4-oxo-2-(pyrrolidine-1-carbonyl)-1H-quinoline-3-carboxamide (PubChem CID 59097854) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is N-ethyl-N-methyl-4-oxo-2-(pyrrolidine-1-carbonyl)-1H-quinoline-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-methyl-4-oxo-2-(pyrrolidine-1-carbonyl)-1H-quinoline-3-carboxamide
PubChem CID59097854
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC NameN-ethyl-N-methyl-4-oxo-2-(pyrrolidine-1-carbonyl)-1H-quinoline-3-carboxamide
SMILESCCN(C)C(=O)c1c(C(=O)N2CCCC2)[nH]c2ccccc2c1=O
InChIInChI=1S/C18H21N3O3/c1-3-20(2)17(23)14-15(18(24)21-10-6-7-11-21)19-13-9-5-4-8-12(13)16(14)22/h4-5,8-9H,3,6-7,10-11H2,1-2H3,(H,19,22)
InChIKeyHXDJLRYBVVXIMR-UHFFFAOYSA-N
XLogP1.86
TPSA73.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-methyl-4-oxo-2-(pyrrolidine-1-carbonyl)-1H-quinoline-3-carboxamide?
The IUPAC name of N-ethyl-N-methyl-4-oxo-2-(pyrrolidine-1-carbonyl)-1H-quinoline-3-carboxamide (CID 59097854) is N-ethyl-N-methyl-4-oxo-2-(pyrrolidine-1-carbonyl)-1H-quinoline-3-carboxamide.
What is the SMILES notation for N-ethyl-N-methyl-4-oxo-2-(pyrrolidine-1-carbonyl)-1H-quinoline-3-carboxamide?
The canonical SMILES for N-ethyl-N-methyl-4-oxo-2-(pyrrolidine-1-carbonyl)-1H-quinoline-3-carboxamide is CCN(C)C(=O)c1c(C(=O)N2CCCC2)[nH]c2ccccc2c1=O.
What is the InChIKey of N-ethyl-N-methyl-4-oxo-2-(pyrrolidine-1-carbonyl)-1H-quinoline-3-carboxamide?
The InChIKey is HXDJLRYBVVXIMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3/c1-3-20(2)17(23)14-15(18(24)21-10-6-7-11-21)19-13-9-5-4-8-12(13)16(14)22/h4-5,8-9H,3,6-7,10-11H2,1-2H3,(H,19,22).
What are the key properties of N-ethyl-N-methyl-4-oxo-2-(pyrrolidine-1-carbonyl)-1H-quinoline-3-carboxamide?
N-ethyl-N-methyl-4-oxo-2-(pyrrolidine-1-carbonyl)-1H-quinoline-3-carboxamide has a molecular weight of 327.38 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-methyl-4-oxo-2-(pyrrolidine-1-carbonyl)-1H-quinoline-3-carboxamide is sourced from PubChem (CID 59097854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).