N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-methylphenyl)quinoline-4-carboxamide

C25H20N2O3 — CID 1013515

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-methylphenyl)quinoline-4-carboxamide
SMILESCc1cccc(-c2cc(C(=O)Nc3ccc4c(c3)OCCO4)c3ccccc3n2)c1
InChIInChI=1S/C25H20N2O3/c1-16-5-4-6-17(13-16)22-15-20(19-7-2-3-8-21(19)27-22)25(28)26-18-9-10-23-24(14-18)30-12-11-29-23/h2-10,13-15H,11-12H2,1H3,(H,26,28)
InChIKeyXYXKUSWECOFVEP-UHFFFAOYSA-N
MW396.45 g/mol
LogP5.23
Rot. Bonds3

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-methylphenyl)quinoline-4-carboxamide

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-methylphenyl)quinoline-4-carboxamide (PubChem CID 1013515) has the molecular formula C25H20N2O3 and a molecular weight of 396.45 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-methylphenyl)quinoline-4-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-methylphenyl)quinoline-4-carboxamide
PubChem CID1013515
Molecular FormulaC25H20N2O3
Molecular Weight396.45 g/mol
Exact Mass396.15
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-methylphenyl)quinoline-4-carboxamide
SMILESCc1cccc(-c2cc(C(=O)Nc3ccc4c(c3)OCCO4)c3ccccc3n2)c1
InChIInChI=1S/C25H20N2O3/c1-16-5-4-6-17(13-16)22-15-20(19-7-2-3-8-21(19)27-22)25(28)26-18-9-10-23-24(14-18)30-12-11-29-23/h2-10,13-15H,11-12H2,1H3,(H,26,28)
InChIKeyXYXKUSWECOFVEP-UHFFFAOYSA-N
XLogP5.23
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.45
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-6-[(6,7-dimethoxyquinolin-4-yl)oxy]naphthalene-1-carboxamide
CID 11441375
CID 117996541
CID 117996541
N-(4-(2-(hydroxyamino)-2-oxoethyl)tetrahydro-2H-pyran-4-yl)-4-((2-methylquinolin-4-yl)methoxy)benzamide
CID 9868333
6-(6,7-dimethoxyquinolin-4-yl)oxy-N-[3-(trifluoromethyl)phenyl]naphthalene-1-carboxamide
CID 11156617
N-(4-tert-butylphenyl)-6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalene-1-carboxamide
CID 11329617
6-(6,7-dimethoxyquinolin-4-yl)oxy-N-(2-methoxyethyl)naphthalene-1-carboxamide
CID 11362483
6-(6,7-dimethoxyquinolin-4-yl)oxy-N-[4-(trifluoromethyl)phenyl]naphthalene-1-carboxamide
CID 11466492
6-[(6,7-dimethoxy-4-quinolinyl)oxy]-1-Naphthalenecarboxamide
CID 11474276
6-[(6,7-Dimethoxy-4-quinolinyl)oxy]-N-ethyl-1-naphthalenecarboxamide
CID 11486459
6-(6,7-dimethoxyquinolin-4-yl)oxy-N-phenylnaphthalene-1-carboxamide
CID 11487747
6-(6,7-dimethoxyquinolin-4-yloxy)-N-methyl-1-naphthamide
CID 11749561
6-(6,7-dimethoxyquinolin-4-yl)oxy-N-(4-fluorophenyl)naphthalene-1-carboxamide
CID 24822269

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-methylphenyl)quinoline-4-carboxamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-methylphenyl)quinoline-4-carboxamide (CID 1013515) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-methylphenyl)quinoline-4-carboxamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-methylphenyl)quinoline-4-carboxamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-methylphenyl)quinoline-4-carboxamide is Cc1cccc(-c2cc(C(=O)Nc3ccc4c(c3)OCCO4)c3ccccc3n2)c1.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-methylphenyl)quinoline-4-carboxamide?
The InChIKey is XYXKUSWECOFVEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N2O3/c1-16-5-4-6-17(13-16)22-15-20(19-7-2-3-8-21(19)27-22)25(28)26-18-9-10-23-24(14-18)30-12-11-29-23/h2-10,13-15H,11-12H2,1H3,(H,26,28).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-methylphenyl)quinoline-4-carboxamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-methylphenyl)quinoline-4-carboxamide has a molecular weight of 396.45 g/mol, XLogP of 5.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-methylphenyl)quinoline-4-carboxamide is sourced from PubChem (CID 1013515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).