ethane;3-ethyl-N-(2-quinolin-3-ylphenyl)benzamide

C26H26N2O — CID 143844942

IUPACethane;3-ethyl-N-(2-quinolin-3-ylphenyl)benzamide
SMILESCC.CCc1cccc(C(=O)Nc2ccccc2-c2cnc3ccccc3c2)c1
InChIInChI=1S/C24H20N2O.C2H6/c1-2-17-8-7-10-19(14-17)24(27)26-23-13-6-4-11-21(23)20-15-18-9-3-5-12-22(18)25-16-20;1-2/h3-16H,2H2,1H3,(H,26,27);1-2H3
InChIKeyJFQLXOPFBPZZME-UHFFFAOYSA-N
MW382.51 g/mol
LogP6.74
Rot. Bonds4

About ethane;3-ethyl-N-(2-quinolin-3-ylphenyl)benzamide

ethane;3-ethyl-N-(2-quinolin-3-ylphenyl)benzamide (PubChem CID 143844942) has the molecular formula C26H26N2O and a molecular weight of 382.51 g/mol. Its IUPAC name is ethane;3-ethyl-N-(2-quinolin-3-ylphenyl)benzamide.

Molecular Properties

Compound Nameethane;3-ethyl-N-(2-quinolin-3-ylphenyl)benzamide
PubChem CID143844942
Molecular FormulaC26H26N2O
Molecular Weight382.51 g/mol
Exact Mass382.20
IUPAC Nameethane;3-ethyl-N-(2-quinolin-3-ylphenyl)benzamide
SMILESCC.CCc1cccc(C(=O)Nc2ccccc2-c2cnc3ccccc3c2)c1
InChIInChI=1S/C24H20N2O.C2H6/c1-2-17-8-7-10-19(14-17)24(27)26-23-13-6-4-11-21(23)20-15-18-9-3-5-12-22(18)25-16-20;1-2/h3-16H,2H2,1H3,(H,26,27);1-2H3
InChIKeyJFQLXOPFBPZZME-UHFFFAOYSA-N
XLogP6.74
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.51
LogP ≤ 56.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3,3-dimethyl-1-quinolin-3-yl-4H-isoquinolin-5-yl)-3-fluorobenzamide
CID 23160866
N-[(2S)-butan-2-yl]-3-quinolin-3-ylbenzamide
CID 92883220
N-(2-iodophenyl)quinoline-3-carboxamide
CID 139568501
N-(3,3-dimethyl-1-quinolin-3-yl-4H-isoquinolin-5-yl)-4-fluorobenzamide
CID 23160773
N-[[4-(diethylamino)phenyl]methyl]-3-quinolin-3-ylbenzamide
CID 46389962
N-(4-tert-butylphenyl)-4-quinolin-3-ylbenzamide
CID 58639670
3-[(1,3-dioxoisoindol-2-yl)methyl]-N-(2-phenylphenyl)benzamide
CID 51548115
3-(dimethylamino)-N-(2-quinolin-2-ylphenyl)benzamide
CID 46376180
3-(dipropylamino)-N-quinolin-3-ylbenzamide
CID 66815676
3-ethyl-N-methylbenzamide
CID 59115297
N-(2-phenylphenyl)-N'-(quinolin-3-ylmethylideneamino)oxamide
CID 3722369
2-phenylmethoxy-N-(2-phenylphenyl)pyridine-4-carboxamide
CID 60566988

Frequently Asked Questions

What is the IUPAC name of ethane;3-ethyl-N-(2-quinolin-3-ylphenyl)benzamide?
The IUPAC name of ethane;3-ethyl-N-(2-quinolin-3-ylphenyl)benzamide (CID 143844942) is ethane;3-ethyl-N-(2-quinolin-3-ylphenyl)benzamide.
What is the SMILES notation for ethane;3-ethyl-N-(2-quinolin-3-ylphenyl)benzamide?
The canonical SMILES for ethane;3-ethyl-N-(2-quinolin-3-ylphenyl)benzamide is CC.CCc1cccc(C(=O)Nc2ccccc2-c2cnc3ccccc3c2)c1.
What is the InChIKey of ethane;3-ethyl-N-(2-quinolin-3-ylphenyl)benzamide?
The InChIKey is JFQLXOPFBPZZME-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O.C2H6/c1-2-17-8-7-10-19(14-17)24(27)26-23-13-6-4-11-21(23)20-15-18-9-3-5-12-22(18)25-16-20;1-2/h3-16H,2H2,1H3,(H,26,27);1-2H3.
What are the key properties of ethane;3-ethyl-N-(2-quinolin-3-ylphenyl)benzamide?
ethane;3-ethyl-N-(2-quinolin-3-ylphenyl)benzamide has a molecular weight of 382.51 g/mol, XLogP of 6.74, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-ethyl-N-(2-quinolin-3-ylphenyl)benzamide is sourced from PubChem (CID 143844942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).