4-(2,3-dihydro-1-benzofuran-4-ylamino)-8-methyl-6-(morpholine-4-carbonyl)quinoline-3-carboxamide

C24H24N4O4 — CID 11281887

IUPAC4-(2,3-dihydro-1-benzofuran-4-ylamino)-8-methyl-6-(morpholine-4-carbonyl)quinoline-3-carboxamide
SMILESCc1cc(C(=O)N2CCOCC2)cc2c(Nc3cccc4c3CCO4)c(C(N)=O)cnc12
InChIInChI=1S/C24H24N4O4/c1-14-11-15(24(30)28-6-9-31-10-7-28)12-17-21(14)26-13-18(23(25)29)22(17)27-19-3-2-4-20-16(19)5-8-32-20/h2-4,11-13H,5-10H2,1H3,(H2,25,29)(H,26,27)
InChIKeyKWJJVBBURBFSAT-UHFFFAOYSA-N
MW432.48 g/mol
LogP2.79
Rot. Bonds4

About 4-(2,3-dihydro-1-benzofuran-4-ylamino)-8-methyl-6-(morpholine-4-carbonyl)quinoline-3-carboxamide

4-(2,3-dihydro-1-benzofuran-4-ylamino)-8-methyl-6-(morpholine-4-carbonyl)quinoline-3-carboxamide (PubChem CID 11281887) has the molecular formula C24H24N4O4 and a molecular weight of 432.48 g/mol. Its IUPAC name is 4-(2,3-dihydro-1-benzofuran-4-ylamino)-8-methyl-6-(morpholine-4-carbonyl)quinoline-3-carboxamide.

Molecular Properties

Compound Name4-(2,3-dihydro-1-benzofuran-4-ylamino)-8-methyl-6-(morpholine-4-carbonyl)quinoline-3-carboxamide
PubChem CID11281887
Molecular FormulaC24H24N4O4
Molecular Weight432.48 g/mol
Exact Mass432.18
IUPAC Name4-(2,3-dihydro-1-benzofuran-4-ylamino)-8-methyl-6-(morpholine-4-carbonyl)quinoline-3-carboxamide
SMILESCc1cc(C(=O)N2CCOCC2)cc2c(Nc3cccc4c3CCO4)c(C(N)=O)cnc12
InChIInChI=1S/C24H24N4O4/c1-14-11-15(24(30)28-6-9-31-10-7-28)12-17-21(14)26-13-18(23(25)29)22(17)27-19-3-2-4-20-16(19)5-8-32-20/h2-4,11-13H,5-10H2,1H3,(H2,25,29)(H,26,27)
InChIKeyKWJJVBBURBFSAT-UHFFFAOYSA-N
XLogP2.79
TPSA106.78 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.48
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydro-1-benzofuran-4-ylamino)-8-methyl-6-(morpholine-4-carbonyl)quinoline-3-carboxamide?
The IUPAC name of 4-(2,3-dihydro-1-benzofuran-4-ylamino)-8-methyl-6-(morpholine-4-carbonyl)quinoline-3-carboxamide (CID 11281887) is 4-(2,3-dihydro-1-benzofuran-4-ylamino)-8-methyl-6-(morpholine-4-carbonyl)quinoline-3-carboxamide.
What is the SMILES notation for 4-(2,3-dihydro-1-benzofuran-4-ylamino)-8-methyl-6-(morpholine-4-carbonyl)quinoline-3-carboxamide?
The canonical SMILES for 4-(2,3-dihydro-1-benzofuran-4-ylamino)-8-methyl-6-(morpholine-4-carbonyl)quinoline-3-carboxamide is Cc1cc(C(=O)N2CCOCC2)cc2c(Nc3cccc4c3CCO4)c(C(N)=O)cnc12.
What is the InChIKey of 4-(2,3-dihydro-1-benzofuran-4-ylamino)-8-methyl-6-(morpholine-4-carbonyl)quinoline-3-carboxamide?
The InChIKey is KWJJVBBURBFSAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O4/c1-14-11-15(24(30)28-6-9-31-10-7-28)12-17-21(14)26-13-18(23(25)29)22(17)27-19-3-2-4-20-16(19)5-8-32-20/h2-4,11-13H,5-10H2,1H3,(H2,25,29)(H,26,27).
What are the key properties of 4-(2,3-dihydro-1-benzofuran-4-ylamino)-8-methyl-6-(morpholine-4-carbonyl)quinoline-3-carboxamide?
4-(2,3-dihydro-1-benzofuran-4-ylamino)-8-methyl-6-(morpholine-4-carbonyl)quinoline-3-carboxamide has a molecular weight of 432.48 g/mol, XLogP of 2.79, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydro-1-benzofuran-4-ylamino)-8-methyl-6-(morpholine-4-carbonyl)quinoline-3-carboxamide is sourced from PubChem (CID 11281887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).