N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(5-methylfuran-2-yl)quinoline-4-carboxamide

C23H18N2O4 — CID 1000925

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(5-methylfuran-2-yl)quinoline-4-carboxamide
SMILESCc1ccc(-c2cc(C(=O)Nc3ccc4c(c3)OCCO4)c3ccccc3n2)o1
InChIInChI=1S/C23H18N2O4/c1-14-6-8-20(29-14)19-13-17(16-4-2-3-5-18(16)25-19)23(26)24-15-7-9-21-22(12-15)28-11-10-27-21/h2-9,12-13H,10-11H2,1H3,(H,24,26)
InChIKeyQBSNXCKHSQWUEF-UHFFFAOYSA-N
MW386.41 g/mol
LogP4.83
Rot. Bonds3

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(5-methylfuran-2-yl)quinoline-4-carboxamide

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(5-methylfuran-2-yl)quinoline-4-carboxamide (PubChem CID 1000925) has the molecular formula C23H18N2O4 and a molecular weight of 386.41 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(5-methylfuran-2-yl)quinoline-4-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(5-methylfuran-2-yl)quinoline-4-carboxamide
PubChem CID1000925
Molecular FormulaC23H18N2O4
Molecular Weight386.41 g/mol
Exact Mass386.13
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(5-methylfuran-2-yl)quinoline-4-carboxamide
SMILESCc1ccc(-c2cc(C(=O)Nc3ccc4c(c3)OCCO4)c3ccccc3n2)o1
InChIInChI=1S/C23H18N2O4/c1-14-6-8-20(29-14)19-13-17(16-4-2-3-5-18(16)25-19)23(26)24-15-7-9-21-22(12-15)28-11-10-27-21/h2-9,12-13H,10-11H2,1H3,(H,24,26)
InChIKeyQBSNXCKHSQWUEF-UHFFFAOYSA-N
XLogP4.83
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.41
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,5-dimethylphenyl)-2-(5-methylfuran-2-yl)quinoline-4-carboxamide
CID 1222302
N-[4-(diethylamino)phenyl]-2-(5-methylfuran-2-yl)quinoline-4-carboxamide
CID 3408470
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1,3,5-trimethylpyrazol-4-yl)quinoline-4-carboxamide
CID 19512652
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridin-2-ylquinoline-4-carboxamide
CID 27649831
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-pyridin-4-ylquinoline-4-carboxamide
CID 17372199
N-ethoxy-2-(5-methylfuran-2-yl)quinoline-4-carboxamide
CID 18168945
N-(1,3-benzodioxol-5-yl)-2-(5-ethylthiophen-2-yl)quinoline-4-carboxamide
CID 1261575
methyl 2-[[2-(5-methylfuran-2-yl)quinoline-4-carbonyl]amino]benzoate
CID 1221258
2-(5-methylfuran-2-yl)-N-morpholin-4-ylquinoline-4-carboxamide
CID 5003008
N-[(1R)-1-cyclopropylethyl]-2-(5-methylfuran-2-yl)quinoline-4-carboxamide
CID 9266940
2-(5-methylfuran-2-yl)-N-[7-[[2-(5-methylfuran-2-yl)quinoline-4-carbonyl]amino]heptyl]quinoline-4-carboxamide
CID 4639931
2-(5-methylfuran-2-yl)quinoline-4-carboxamide
CID 913140

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(5-methylfuran-2-yl)quinoline-4-carboxamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(5-methylfuran-2-yl)quinoline-4-carboxamide (CID 1000925) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(5-methylfuran-2-yl)quinoline-4-carboxamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(5-methylfuran-2-yl)quinoline-4-carboxamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(5-methylfuran-2-yl)quinoline-4-carboxamide is Cc1ccc(-c2cc(C(=O)Nc3ccc4c(c3)OCCO4)c3ccccc3n2)o1.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(5-methylfuran-2-yl)quinoline-4-carboxamide?
The InChIKey is QBSNXCKHSQWUEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N2O4/c1-14-6-8-20(29-14)19-13-17(16-4-2-3-5-18(16)25-19)23(26)24-15-7-9-21-22(12-15)28-11-10-27-21/h2-9,12-13H,10-11H2,1H3,(H,24,26).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(5-methylfuran-2-yl)quinoline-4-carboxamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(5-methylfuran-2-yl)quinoline-4-carboxamide has a molecular weight of 386.41 g/mol, XLogP of 4.83, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(5-methylfuran-2-yl)quinoline-4-carboxamide is sourced from PubChem (CID 1000925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).