6-ethyl-2,2,4-trimethyl-N-phenylquinoline-1-carboxamide

C21H24N2O — CID 884545

IUPAC6-ethyl-2,2,4-trimethyl-N-phenylquinoline-1-carboxamide
SMILESCCc1ccc2c(c1)C(C)=CC(C)(C)N2C(=O)Nc1ccccc1
InChIInChI=1S/C21H24N2O/c1-5-16-11-12-19-18(13-16)15(2)14-21(3,4)23(19)20(24)22-17-9-7-6-8-10-17/h6-14H,5H2,1-4H3,(H,22,24)
InChIKeyIMRYPWTUCOAYTG-UHFFFAOYSA-N
MW320.44 g/mol
LogP5.48
Rot. Bonds2

About 6-ethyl-2,2,4-trimethyl-N-phenylquinoline-1-carboxamide

6-ethyl-2,2,4-trimethyl-N-phenylquinoline-1-carboxamide (PubChem CID 884545) has the molecular formula C21H24N2O and a molecular weight of 320.44 g/mol. Its IUPAC name is 6-ethyl-2,2,4-trimethyl-N-phenylquinoline-1-carboxamide.

Molecular Properties

Compound Name6-ethyl-2,2,4-trimethyl-N-phenylquinoline-1-carboxamide
PubChem CID884545
Molecular FormulaC21H24N2O
Molecular Weight320.44 g/mol
Exact Mass320.19
IUPAC Name6-ethyl-2,2,4-trimethyl-N-phenylquinoline-1-carboxamide
SMILESCCc1ccc2c(c1)C(C)=CC(C)(C)N2C(=O)Nc1ccccc1
InChIInChI=1S/C21H24N2O/c1-5-16-11-12-19-18(13-16)15(2)14-21(3,4)23(19)20(24)22-17-9-7-6-8-10-17/h6-14H,5H2,1-4H3,(H,22,24)
InChIKeyIMRYPWTUCOAYTG-UHFFFAOYSA-N
XLogP5.48
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.44
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[2,2,4-trimethyl-1-(phenylcarbamoyl)quinolin-6-yl] N-phenylcarbamate
CID 1282280
N-(3-chlorophenyl)-2,2,4,6-tetramethylquinoline-1-carboxamide
CID 737936
2-(9-ethyl-5,5-dioxobenzo[c][1,2]benzothiazin-6-yl)-N-phenylacetamide
CID 17200692
N-(3,4-dichlorophenyl)-7-methoxy-2,2,4-trimethylquinoline-1-carboxamide
CID 5238686
(E)-2-cyano-3-(7-fluoro-2,2,4-trimethyl-1-propylquinolin-6-yl)-N-phenylprop-2-enamide
CID 50869443
1-(6-amino-2,2,4-trimethylquinolin-1-yl)ethanone;ethane;methane
CID 143769342
3,3-dimethyl-1-N,2-N-diphenyldiaziridine-1,2-dicarboxamide
CID 2831867
(2R)-2-chloro-1-(6-methoxy-2,2,4-trimethylquinolin-1-yl)-2-phenylethanone
CID 7299544
1-(2,2,4-trimethylquinolin-1-yl)but-2-en-1-one
CID 3119210
(3-nitrophenyl)-(2,2,4-trimethyl-6-tritylquinolin-1-yl)methanone
CID 2857133
2-morpholin-4-yl-1-(2,2,4-trimethyl-6-tritylquinolin-1-yl)ethanone
CID 3119223
2-[(2S)-1-oxo-3-phenyl-1-(2,2,4-trimethylquinolin-1-yl)propan-2-yl]isoindole-1,3-dione
CID 1221173

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-2,2,4-trimethyl-N-phenylquinoline-1-carboxamide?
The IUPAC name of 6-ethyl-2,2,4-trimethyl-N-phenylquinoline-1-carboxamide (CID 884545) is 6-ethyl-2,2,4-trimethyl-N-phenylquinoline-1-carboxamide.
What is the SMILES notation for 6-ethyl-2,2,4-trimethyl-N-phenylquinoline-1-carboxamide?
The canonical SMILES for 6-ethyl-2,2,4-trimethyl-N-phenylquinoline-1-carboxamide is CCc1ccc2c(c1)C(C)=CC(C)(C)N2C(=O)Nc1ccccc1.
What is the InChIKey of 6-ethyl-2,2,4-trimethyl-N-phenylquinoline-1-carboxamide?
The InChIKey is IMRYPWTUCOAYTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O/c1-5-16-11-12-19-18(13-16)15(2)14-21(3,4)23(19)20(24)22-17-9-7-6-8-10-17/h6-14H,5H2,1-4H3,(H,22,24).
What are the key properties of 6-ethyl-2,2,4-trimethyl-N-phenylquinoline-1-carboxamide?
6-ethyl-2,2,4-trimethyl-N-phenylquinoline-1-carboxamide has a molecular weight of 320.44 g/mol, XLogP of 5.48, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-2,2,4-trimethyl-N-phenylquinoline-1-carboxamide is sourced from PubChem (CID 884545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).