N-[2-(diethylamino)ethyl]-6-ethyl-4-oxo-1H-quinoline-3-carboxamide;ethane

C22H37N3O2 — CID 143617094

IUPACN-[2-(diethylamino)ethyl]-6-ethyl-4-oxo-1H-quinoline-3-carboxamide;ethane
SMILESCC.CC.CCc1ccc2[nH]cc(C(=O)NCCN(CC)CC)c(=O)c2c1
InChIInChI=1S/C18H25N3O2.2C2H6/c1-4-13-7-8-16-14(11-13)17(22)15(12-20-16)18(23)19-9-10-21(5-2)6-3;2*1-2/h7-8,11-12H,4-6,9-10H2,1-3H3,(H,19,23)(H,20,22);2*1-2H3
InChIKeyYSYRENVMYKIIEZ-UHFFFAOYSA-N
MW375.56 g/mol
LogP4.21
Rot. Bonds7

About N-[2-(diethylamino)ethyl]-6-ethyl-4-oxo-1H-quinoline-3-carboxamide;ethane

N-[2-(diethylamino)ethyl]-6-ethyl-4-oxo-1H-quinoline-3-carboxamide;ethane (PubChem CID 143617094) has the molecular formula C22H37N3O2 and a molecular weight of 375.56 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-6-ethyl-4-oxo-1H-quinoline-3-carboxamide;ethane.

Molecular Properties

Compound NameN-[2-(diethylamino)ethyl]-6-ethyl-4-oxo-1H-quinoline-3-carboxamide;ethane
PubChem CID143617094
Molecular FormulaC22H37N3O2
Molecular Weight375.56 g/mol
Exact Mass375.29
IUPAC NameN-[2-(diethylamino)ethyl]-6-ethyl-4-oxo-1H-quinoline-3-carboxamide;ethane
SMILESCC.CC.CCc1ccc2[nH]cc(C(=O)NCCN(CC)CC)c(=O)c2c1
InChIInChI=1S/C18H25N3O2.2C2H6/c1-4-13-7-8-16-14(11-13)17(22)15(12-20-16)18(23)19-9-10-21(5-2)6-3;2*1-2/h7-8,11-12H,4-6,9-10H2,1-3H3,(H,19,23)(H,20,22);2*1-2H3
InChIKeyYSYRENVMYKIIEZ-UHFFFAOYSA-N
XLogP4.21
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.56
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-(2-(18F)fluoroethyl)-4-oxo-N-propyl-1H-quinoline-3-carboxamide
CID 25235263
N-butyl-6-(methoxymethyl)-4-oxo-1H-quinoline-3-carboxamide
CID 18473157
N-[3-(diethylamino)propyl]-7-methoxy-4-oxo-1H-quinoline-3-carboxamide
CID 78323048
1-(5-ethyl-1H-indol-3-yl)-2-(methylamino)ethanone
CID 82493050
N-[2-(diethylamino)ethyl]-2-(5-ethyl-2-methyl-1H-indol-3-yl)acetamide
CID 25246473
6-benzyl-N-(2-(18F)fluoroethyl)-4-oxo-1H-quinoline-3-carboxamide
CID 25210565
pentan-3-yl 6-ethyl-4-oxo-1H-quinoline-3-carboxylate
CID 11716193
6-ethyl-3-heptanoyl-1H-quinolin-4-one
CID 44561074
6-[(4-ethylphenyl)sulfamoyl]-N-(3-methylbutyl)-4-oxo-1H-quinoline-3-carboxamide
CID 3522692
N-(2-hydroxyethyl)-6-methoxy-4-oxo-1H-quinoline-3-carboxamide
CID 43813799
N-[2-(diethylamino)ethyl]-7-(125I)iodo-9-oxo-10H-acridine-4-carboxamide;hydrochloride
CID 44587791
3-(18F)fluoropropyl 6-ethyl-4-oxo-1H-quinoline-3-carboxylate
CID 25235216

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)ethyl]-6-ethyl-4-oxo-1H-quinoline-3-carboxamide;ethane?
The IUPAC name of N-[2-(diethylamino)ethyl]-6-ethyl-4-oxo-1H-quinoline-3-carboxamide;ethane (CID 143617094) is N-[2-(diethylamino)ethyl]-6-ethyl-4-oxo-1H-quinoline-3-carboxamide;ethane.
What is the SMILES notation for N-[2-(diethylamino)ethyl]-6-ethyl-4-oxo-1H-quinoline-3-carboxamide;ethane?
The canonical SMILES for N-[2-(diethylamino)ethyl]-6-ethyl-4-oxo-1H-quinoline-3-carboxamide;ethane is CC.CC.CCc1ccc2[nH]cc(C(=O)NCCN(CC)CC)c(=O)c2c1.
What is the InChIKey of N-[2-(diethylamino)ethyl]-6-ethyl-4-oxo-1H-quinoline-3-carboxamide;ethane?
The InChIKey is YSYRENVMYKIIEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2.2C2H6/c1-4-13-7-8-16-14(11-13)17(22)15(12-20-16)18(23)19-9-10-21(5-2)6-3;2*1-2/h7-8,11-12H,4-6,9-10H2,1-3H3,(H,19,23)(H,20,22);2*1-2H3.
What are the key properties of N-[2-(diethylamino)ethyl]-6-ethyl-4-oxo-1H-quinoline-3-carboxamide;ethane?
N-[2-(diethylamino)ethyl]-6-ethyl-4-oxo-1H-quinoline-3-carboxamide;ethane has a molecular weight of 375.56 g/mol, XLogP of 4.21, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)ethyl]-6-ethyl-4-oxo-1H-quinoline-3-carboxamide;ethane is sourced from PubChem (CID 143617094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).