4-(dimethylamino)-N-(furan-2-ylmethyl)-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide

C25H25N3O3 — CID 53323849

IUPAC4-(dimethylamino)-N-(furan-2-ylmethyl)-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide
SMILESCc1ccc2[nH]c(=O)c(CN(Cc3ccco3)C(=O)c3ccc(N(C)C)cc3)cc2c1
InChIInChI=1S/C25H25N3O3/c1-17-6-11-23-19(13-17)14-20(24(29)26-23)15-28(16-22-5-4-12-31-22)25(30)18-7-9-21(10-8-18)27(2)3/h4-14H,15-16H2,1-3H3,(H,26,29)
InChIKeyXOQARHLGYKVQIT-UHFFFAOYSA-N
MW415.49 g/mol
LogP4.34
Rot. Bonds6

About 4-(dimethylamino)-N-(furan-2-ylmethyl)-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide

4-(dimethylamino)-N-(furan-2-ylmethyl)-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide (PubChem CID 53323849) has the molecular formula C25H25N3O3 and a molecular weight of 415.49 g/mol. Its IUPAC name is 4-(dimethylamino)-N-(furan-2-ylmethyl)-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide.

Molecular Properties

Compound Name4-(dimethylamino)-N-(furan-2-ylmethyl)-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide
PubChem CID53323849
Molecular FormulaC25H25N3O3
Molecular Weight415.49 g/mol
Exact Mass415.19
IUPAC Name4-(dimethylamino)-N-(furan-2-ylmethyl)-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide
SMILESCc1ccc2[nH]c(=O)c(CN(Cc3ccco3)C(=O)c3ccc(N(C)C)cc3)cc2c1
InChIInChI=1S/C25H25N3O3/c1-17-6-11-23-19(13-17)14-20(24(29)26-23)15-28(16-22-5-4-12-31-22)25(30)18-7-9-21(10-8-18)27(2)3/h4-14H,15-16H2,1-3H3,(H,26,29)
InChIKeyXOQARHLGYKVQIT-UHFFFAOYSA-N
XLogP4.34
TPSA69.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.49
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-N-(furan-2-ylmethyl)-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide?
The IUPAC name of 4-(dimethylamino)-N-(furan-2-ylmethyl)-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide (CID 53323849) is 4-(dimethylamino)-N-(furan-2-ylmethyl)-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide.
What is the SMILES notation for 4-(dimethylamino)-N-(furan-2-ylmethyl)-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide?
The canonical SMILES for 4-(dimethylamino)-N-(furan-2-ylmethyl)-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide is Cc1ccc2[nH]c(=O)c(CN(Cc3ccco3)C(=O)c3ccc(N(C)C)cc3)cc2c1.
What is the InChIKey of 4-(dimethylamino)-N-(furan-2-ylmethyl)-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide?
The InChIKey is XOQARHLGYKVQIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O3/c1-17-6-11-23-19(13-17)14-20(24(29)26-23)15-28(16-22-5-4-12-31-22)25(30)18-7-9-21(10-8-18)27(2)3/h4-14H,15-16H2,1-3H3,(H,26,29).
What are the key properties of 4-(dimethylamino)-N-(furan-2-ylmethyl)-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide?
4-(dimethylamino)-N-(furan-2-ylmethyl)-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide has a molecular weight of 415.49 g/mol, XLogP of 4.34, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-N-(furan-2-ylmethyl)-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide is sourced from PubChem (CID 53323849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).