N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-6-methyl-2-phenylquinoline-4-carboxamide

C25H25N3O2 — CID 24687278

IUPACN-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-6-methyl-2-phenylquinoline-4-carboxamide
SMILESCc1ccc2nc(-c3ccccc3)cc(C(=O)NCC(c3ccco3)N(C)C)c2c1
InChIInChI=1S/C25H25N3O2/c1-17-11-12-21-19(14-17)20(15-22(27-21)18-8-5-4-6-9-18)25(29)26-16-23(28(2)3)24-10-7-13-30-24/h4-15,23H,16H2,1-3H3,(H,26,29)
InChIKeyYDGUHWFTEOWKLP-UHFFFAOYSA-N
MW399.49 g/mol
LogP4.84
Rot. Bonds6

About N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-6-methyl-2-phenylquinoline-4-carboxamide

N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-6-methyl-2-phenylquinoline-4-carboxamide (PubChem CID 24687278) has the molecular formula C25H25N3O2 and a molecular weight of 399.49 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-6-methyl-2-phenylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-6-methyl-2-phenylquinoline-4-carboxamide
PubChem CID24687278
Molecular FormulaC25H25N3O2
Molecular Weight399.49 g/mol
Exact Mass399.19
IUPAC NameN-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-6-methyl-2-phenylquinoline-4-carboxamide
SMILESCc1ccc2nc(-c3ccccc3)cc(C(=O)NCC(c3ccco3)N(C)C)c2c1
InChIInChI=1S/C25H25N3O2/c1-17-11-12-21-19(14-17)20(15-22(27-21)18-8-5-4-6-9-18)25(29)26-16-23(28(2)3)24-10-7-13-30-24/h4-15,23H,16H2,1-3H3,(H,26,29)
InChIKeyYDGUHWFTEOWKLP-UHFFFAOYSA-N
XLogP4.84
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.49
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-6-methyl-2-phenylquinoline-4-carboxamide?
The IUPAC name of N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-6-methyl-2-phenylquinoline-4-carboxamide (CID 24687278) is N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-6-methyl-2-phenylquinoline-4-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-6-methyl-2-phenylquinoline-4-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-6-methyl-2-phenylquinoline-4-carboxamide is Cc1ccc2nc(-c3ccccc3)cc(C(=O)NCC(c3ccco3)N(C)C)c2c1.
What is the InChIKey of N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-6-methyl-2-phenylquinoline-4-carboxamide?
The InChIKey is YDGUHWFTEOWKLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O2/c1-17-11-12-21-19(14-17)20(15-22(27-21)18-8-5-4-6-9-18)25(29)26-16-23(28(2)3)24-10-7-13-30-24/h4-15,23H,16H2,1-3H3,(H,26,29).
What are the key properties of N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-6-methyl-2-phenylquinoline-4-carboxamide?
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-6-methyl-2-phenylquinoline-4-carboxamide has a molecular weight of 399.49 g/mol, XLogP of 4.84, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-6-methyl-2-phenylquinoline-4-carboxamide is sourced from PubChem (CID 24687278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).