N-(4-ethoxy-2-phenylquinolin-6-yl)-1,3-benzodioxole-5-carboxamide

C25H20N2O4 — CID 53113418

IUPACN-(4-ethoxy-2-phenylquinolin-6-yl)-1,3-benzodioxole-5-carboxamide
SMILESCCOc1cc(-c2ccccc2)nc2ccc(NC(=O)c3ccc4c(c3)OCO4)cc12
InChIInChI=1S/C25H20N2O4/c1-2-29-23-14-21(16-6-4-3-5-7-16)27-20-10-9-18(13-19(20)23)26-25(28)17-8-11-22-24(12-17)31-15-30-22/h3-14H,2,15H2,1H3,(H,26,28)
InChIKeyLWBKFDMFTGLFEK-UHFFFAOYSA-N
MW412.45 g/mol
LogP5.28
Rot. Bonds5

About N-(4-ethoxy-2-phenylquinolin-6-yl)-1,3-benzodioxole-5-carboxamide

N-(4-ethoxy-2-phenylquinolin-6-yl)-1,3-benzodioxole-5-carboxamide (PubChem CID 53113418) has the molecular formula C25H20N2O4 and a molecular weight of 412.45 g/mol. Its IUPAC name is N-(4-ethoxy-2-phenylquinolin-6-yl)-1,3-benzodioxole-5-carboxamide.

Molecular Properties

Compound NameN-(4-ethoxy-2-phenylquinolin-6-yl)-1,3-benzodioxole-5-carboxamide
PubChem CID53113418
Molecular FormulaC25H20N2O4
Molecular Weight412.45 g/mol
Exact Mass412.14
IUPAC NameN-(4-ethoxy-2-phenylquinolin-6-yl)-1,3-benzodioxole-5-carboxamide
SMILESCCOc1cc(-c2ccccc2)nc2ccc(NC(=O)c3ccc4c(c3)OCO4)cc12
InChIInChI=1S/C25H20N2O4/c1-2-29-23-14-21(16-6-4-3-5-7-16)27-20-10-9-18(13-19(20)23)26-25(28)17-8-11-22-24(12-17)31-15-30-22/h3-14H,2,15H2,1H3,(H,26,28)
InChIKeyLWBKFDMFTGLFEK-UHFFFAOYSA-N
XLogP5.28
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.45
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-ethoxy-N-(4-methylphenyl)-2-phenylquinoline-6-carboxamide
CID 46318814
4-ethoxy-N-(2-hydroxyphenyl)-2-(4-methylphenyl)quinoline-6-carboxamide
CID 46319059
N-(1,3-benzodioxol-5-yl)-3-phenyl-2,1-benzoxazole-5-carboxamide
CID 9191614
4-ethoxy-N-(2-ethylphenyl)-2-(3-methoxyphenyl)quinoline-6-carboxamide
CID 46318886
1-(4-ethoxy-2-phenylquinolin-6-yl)-3-(3-methoxyphenyl)urea
CID 46385044
4-ethoxy-2-(4-methylphenyl)-N-(3,4,5-trimethoxyphenyl)quinoline-6-carboxamide
CID 46319060
4-ethoxy-2-(4-fluorophenyl)-N-(2-hydroxyphenyl)quinoline-6-carboxamide
CID 46319037
ethyl 4-ethoxy-2-phenylquinoline-6-carboxylate
CID 22425101
N-(2,5-dimethoxyphenyl)-4-ethoxy-2-(3-methoxyphenyl)quinoline-6-carboxamide
CID 46318861
N-[(Z)-(2-ethoxyphenyl)methylideneamino]-1,3-benzodioxole-5-carboxamide
CID 5416925
N-[2-(4-ethoxyphenyl)benzotriazol-5-yl]-1,3-benzodioxole-5-carboxamide
CID 3886890
methyl 2-[6-[(2-ethoxyphenyl)carbamoylamino]-2-phenylquinolin-4-yl]oxyacetate
CID 46385068

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxy-2-phenylquinolin-6-yl)-1,3-benzodioxole-5-carboxamide?
The IUPAC name of N-(4-ethoxy-2-phenylquinolin-6-yl)-1,3-benzodioxole-5-carboxamide (CID 53113418) is N-(4-ethoxy-2-phenylquinolin-6-yl)-1,3-benzodioxole-5-carboxamide.
What is the SMILES notation for N-(4-ethoxy-2-phenylquinolin-6-yl)-1,3-benzodioxole-5-carboxamide?
The canonical SMILES for N-(4-ethoxy-2-phenylquinolin-6-yl)-1,3-benzodioxole-5-carboxamide is CCOc1cc(-c2ccccc2)nc2ccc(NC(=O)c3ccc4c(c3)OCO4)cc12.
What is the InChIKey of N-(4-ethoxy-2-phenylquinolin-6-yl)-1,3-benzodioxole-5-carboxamide?
The InChIKey is LWBKFDMFTGLFEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N2O4/c1-2-29-23-14-21(16-6-4-3-5-7-16)27-20-10-9-18(13-19(20)23)26-25(28)17-8-11-22-24(12-17)31-15-30-22/h3-14H,2,15H2,1H3,(H,26,28).
What are the key properties of N-(4-ethoxy-2-phenylquinolin-6-yl)-1,3-benzodioxole-5-carboxamide?
N-(4-ethoxy-2-phenylquinolin-6-yl)-1,3-benzodioxole-5-carboxamide has a molecular weight of 412.45 g/mol, XLogP of 5.28, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxy-2-phenylquinolin-6-yl)-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 53113418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).