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

C23H19ClN2O3 — CID 1149837

IUPAC4-chloro-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(Cl)cc3)cc2c1
InChIInChI=1S/C23H19ClN2O3/c1-15-4-9-21-17(11-15)12-18(22(27)25-21)13-26(14-20-3-2-10-29-20)23(28)16-5-7-19(24)8-6-16/h2-12H,13-14H2,1H3,(H,25,27)
InChIKeyDCLUCEXWKHWPEW-UHFFFAOYSA-N
MW406.87 g/mol
LogP4.93
Rot. Bonds5

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

4-chloro-N-(furan-2-ylmethyl)-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide (PubChem CID 1149837) has the molecular formula C23H19ClN2O3 and a molecular weight of 406.87 g/mol. Its IUPAC name is 4-chloro-N-(furan-2-ylmethyl)-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-(furan-2-ylmethyl)-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide
PubChem CID1149837
Molecular FormulaC23H19ClN2O3
Molecular Weight406.87 g/mol
Exact Mass406.11
IUPAC Name4-chloro-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(Cl)cc3)cc2c1
InChIInChI=1S/C23H19ClN2O3/c1-15-4-9-21-17(11-15)12-18(22(27)25-21)13-26(14-20-3-2-10-29-20)23(28)16-5-7-19(24)8-6-16/h2-12H,13-14H2,1H3,(H,25,27)
InChIKeyDCLUCEXWKHWPEW-UHFFFAOYSA-N
XLogP4.93
TPSA66.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.87
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(furan-2-ylmethyl)-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide?
The IUPAC name of 4-chloro-N-(furan-2-ylmethyl)-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide (CID 1149837) is 4-chloro-N-(furan-2-ylmethyl)-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide.
What is the SMILES notation for 4-chloro-N-(furan-2-ylmethyl)-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide?
The canonical SMILES for 4-chloro-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(Cl)cc3)cc2c1.
What is the InChIKey of 4-chloro-N-(furan-2-ylmethyl)-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide?
The InChIKey is DCLUCEXWKHWPEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClN2O3/c1-15-4-9-21-17(11-15)12-18(22(27)25-21)13-26(14-20-3-2-10-29-20)23(28)16-5-7-19(24)8-6-16/h2-12H,13-14H2,1H3,(H,25,27).
What are the key properties of 4-chloro-N-(furan-2-ylmethyl)-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide?
4-chloro-N-(furan-2-ylmethyl)-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide has a molecular weight of 406.87 g/mol, XLogP of 4.93, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(furan-2-ylmethyl)-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide is sourced from PubChem (CID 1149837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).