2-(2,3-dihydrofuran-5-yl)-6-methyl-N-(3-morpholin-4-ylphenyl)quinoline-4-carboxamide

C25H25N3O3 — CID 70875056

IUPAC2-(2,3-dihydrofuran-5-yl)-6-methyl-N-(3-morpholin-4-ylphenyl)quinoline-4-carboxamide
SMILESCc1ccc2nc(C3=CCCO3)cc(C(=O)Nc3cccc(N4CCOCC4)c3)c2c1
InChIInChI=1S/C25H25N3O3/c1-17-7-8-22-20(14-17)21(16-23(27-22)24-6-3-11-31-24)25(29)26-18-4-2-5-19(15-18)28-9-12-30-13-10-28/h2,4-8,14-16H,3,9-13H2,1H3,(H,26,29)
InChIKeyMGSFACRVVMHIRA-UHFFFAOYSA-N
MW415.49 g/mol
LogP4.39
Rot. Bonds4

About 2-(2,3-dihydrofuran-5-yl)-6-methyl-N-(3-morpholin-4-ylphenyl)quinoline-4-carboxamide

2-(2,3-dihydrofuran-5-yl)-6-methyl-N-(3-morpholin-4-ylphenyl)quinoline-4-carboxamide (PubChem CID 70875056) has the molecular formula C25H25N3O3 and a molecular weight of 415.49 g/mol. Its IUPAC name is 2-(2,3-dihydrofuran-5-yl)-6-methyl-N-(3-morpholin-4-ylphenyl)quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(2,3-dihydrofuran-5-yl)-6-methyl-N-(3-morpholin-4-ylphenyl)quinoline-4-carboxamide
PubChem CID70875056
Molecular FormulaC25H25N3O3
Molecular Weight415.49 g/mol
Exact Mass415.19
IUPAC Name2-(2,3-dihydrofuran-5-yl)-6-methyl-N-(3-morpholin-4-ylphenyl)quinoline-4-carboxamide
SMILESCc1ccc2nc(C3=CCCO3)cc(C(=O)Nc3cccc(N4CCOCC4)c3)c2c1
InChIInChI=1S/C25H25N3O3/c1-17-7-8-22-20(14-17)21(16-23(27-22)24-6-3-11-31-24)25(29)26-18-4-2-5-19(15-18)28-9-12-30-13-10-28/h2,4-8,14-16H,3,9-13H2,1H3,(H,26,29)
InChIKeyMGSFACRVVMHIRA-UHFFFAOYSA-N
XLogP4.39
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.49
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydrofuran-5-yl)-6-methyl-N-(3-morpholin-4-ylphenyl)quinoline-4-carboxamide?
The IUPAC name of 2-(2,3-dihydrofuran-5-yl)-6-methyl-N-(3-morpholin-4-ylphenyl)quinoline-4-carboxamide (CID 70875056) is 2-(2,3-dihydrofuran-5-yl)-6-methyl-N-(3-morpholin-4-ylphenyl)quinoline-4-carboxamide.
What is the SMILES notation for 2-(2,3-dihydrofuran-5-yl)-6-methyl-N-(3-morpholin-4-ylphenyl)quinoline-4-carboxamide?
The canonical SMILES for 2-(2,3-dihydrofuran-5-yl)-6-methyl-N-(3-morpholin-4-ylphenyl)quinoline-4-carboxamide is Cc1ccc2nc(C3=CCCO3)cc(C(=O)Nc3cccc(N4CCOCC4)c3)c2c1.
What is the InChIKey of 2-(2,3-dihydrofuran-5-yl)-6-methyl-N-(3-morpholin-4-ylphenyl)quinoline-4-carboxamide?
The InChIKey is MGSFACRVVMHIRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O3/c1-17-7-8-22-20(14-17)21(16-23(27-22)24-6-3-11-31-24)25(29)26-18-4-2-5-19(15-18)28-9-12-30-13-10-28/h2,4-8,14-16H,3,9-13H2,1H3,(H,26,29).
What are the key properties of 2-(2,3-dihydrofuran-5-yl)-6-methyl-N-(3-morpholin-4-ylphenyl)quinoline-4-carboxamide?
2-(2,3-dihydrofuran-5-yl)-6-methyl-N-(3-morpholin-4-ylphenyl)quinoline-4-carboxamide has a molecular weight of 415.49 g/mol, XLogP of 4.39, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydrofuran-5-yl)-6-methyl-N-(3-morpholin-4-ylphenyl)quinoline-4-carboxamide is sourced from PubChem (CID 70875056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).