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

C23H18ClFN2O3 — CID 44634335

IUPAC3-chloro-4-fluoro-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(F)c(Cl)c3)cc2c1
InChIInChI=1S/C23H18ClFN2O3/c1-14-4-7-21-16(9-14)10-17(22(28)26-21)12-27(13-18-3-2-8-30-18)23(29)15-5-6-20(25)19(24)11-15/h2-11H,12-13H2,1H3,(H,26,28)
InChIKeyDQSBURFDEBEZHD-UHFFFAOYSA-N
MW424.86 g/mol
LogP5.06
Rot. Bonds5

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

3-chloro-4-fluoro-N-(furan-2-ylmethyl)-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide (PubChem CID 44634335) has the molecular formula C23H18ClFN2O3 and a molecular weight of 424.86 g/mol. Its IUPAC name is 3-chloro-4-fluoro-N-(furan-2-ylmethyl)-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide.

Molecular Properties

Compound Name3-chloro-4-fluoro-N-(furan-2-ylmethyl)-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide
PubChem CID44634335
Molecular FormulaC23H18ClFN2O3
Molecular Weight424.86 g/mol
Exact Mass424.10
IUPAC Name3-chloro-4-fluoro-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(F)c(Cl)c3)cc2c1
InChIInChI=1S/C23H18ClFN2O3/c1-14-4-7-21-16(9-14)10-17(22(28)26-21)12-27(13-18-3-2-8-30-18)23(29)15-5-6-20(25)19(24)11-15/h2-11H,12-13H2,1H3,(H,26,28)
InChIKeyDQSBURFDEBEZHD-UHFFFAOYSA-N
XLogP5.06
TPSA66.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.86
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-fluoro-N-(furan-2-ylmethyl)-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide?
The IUPAC name of 3-chloro-4-fluoro-N-(furan-2-ylmethyl)-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide (CID 44634335) is 3-chloro-4-fluoro-N-(furan-2-ylmethyl)-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide.
What is the SMILES notation for 3-chloro-4-fluoro-N-(furan-2-ylmethyl)-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide?
The canonical SMILES for 3-chloro-4-fluoro-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(F)c(Cl)c3)cc2c1.
What is the InChIKey of 3-chloro-4-fluoro-N-(furan-2-ylmethyl)-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide?
The InChIKey is DQSBURFDEBEZHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClFN2O3/c1-14-4-7-21-16(9-14)10-17(22(28)26-21)12-27(13-18-3-2-8-30-18)23(29)15-5-6-20(25)19(24)11-15/h2-11H,12-13H2,1H3,(H,26,28).
What are the key properties of 3-chloro-4-fluoro-N-(furan-2-ylmethyl)-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide?
3-chloro-4-fluoro-N-(furan-2-ylmethyl)-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide has a molecular weight of 424.86 g/mol, XLogP of 5.06, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-fluoro-N-(furan-2-ylmethyl)-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide is sourced from PubChem (CID 44634335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).