7-chloro-3-[[(4-fluorobenzoyl)amino]methyl]-N,N-dimethyl-4-oxo-1-phenylquinoline-2-carboxamide

C26H21ClFN3O3 — CID 71208579

IUPAC7-chloro-3-[[(4-fluorobenzoyl)amino]methyl]-N,N-dimethyl-4-oxo-1-phenylquinoline-2-carboxamide
SMILESCN(C)C(=O)c1c(CNC(=O)c2ccc(F)cc2)c(=O)c2ccc(Cl)cc2n1-c1ccccc1
InChIInChI=1S/C26H21ClFN3O3/c1-30(2)26(34)23-21(15-29-25(33)16-8-11-18(28)12-9-16)24(32)20-13-10-17(27)14-22(20)31(23)19-6-4-3-5-7-19/h3-14H,15H2,1-2H3,(H,29,33)
InChIKeyXOENIUJSRSAUGD-UHFFFAOYSA-N
MW477.92 g/mol
LogP4.41
Rot. Bonds5

About 7-chloro-3-[[(4-fluorobenzoyl)amino]methyl]-N,N-dimethyl-4-oxo-1-phenylquinoline-2-carboxamide

7-chloro-3-[[(4-fluorobenzoyl)amino]methyl]-N,N-dimethyl-4-oxo-1-phenylquinoline-2-carboxamide (PubChem CID 71208579) has the molecular formula C26H21ClFN3O3 and a molecular weight of 477.92 g/mol. Its IUPAC name is 7-chloro-3-[[(4-fluorobenzoyl)amino]methyl]-N,N-dimethyl-4-oxo-1-phenylquinoline-2-carboxamide.

Molecular Properties

Compound Name7-chloro-3-[[(4-fluorobenzoyl)amino]methyl]-N,N-dimethyl-4-oxo-1-phenylquinoline-2-carboxamide
PubChem CID71208579
Molecular FormulaC26H21ClFN3O3
Molecular Weight477.92 g/mol
Exact Mass477.13
IUPAC Name7-chloro-3-[[(4-fluorobenzoyl)amino]methyl]-N,N-dimethyl-4-oxo-1-phenylquinoline-2-carboxamide
SMILESCN(C)C(=O)c1c(CNC(=O)c2ccc(F)cc2)c(=O)c2ccc(Cl)cc2n1-c1ccccc1
InChIInChI=1S/C26H21ClFN3O3/c1-30(2)26(34)23-21(15-29-25(33)16-8-11-18(28)12-9-16)24(32)20-13-10-17(27)14-22(20)31(23)19-6-4-3-5-7-19/h3-14H,15H2,1-2H3,(H,29,33)
InChIKeyXOENIUJSRSAUGD-UHFFFAOYSA-N
XLogP4.41
TPSA71.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.92
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-3-[[(4-fluorobenzoyl)amino]methyl]-N,N-dimethyl-4-oxo-1-phenylquinoline-2-carboxamide?
The IUPAC name of 7-chloro-3-[[(4-fluorobenzoyl)amino]methyl]-N,N-dimethyl-4-oxo-1-phenylquinoline-2-carboxamide (CID 71208579) is 7-chloro-3-[[(4-fluorobenzoyl)amino]methyl]-N,N-dimethyl-4-oxo-1-phenylquinoline-2-carboxamide.
What is the SMILES notation for 7-chloro-3-[[(4-fluorobenzoyl)amino]methyl]-N,N-dimethyl-4-oxo-1-phenylquinoline-2-carboxamide?
The canonical SMILES for 7-chloro-3-[[(4-fluorobenzoyl)amino]methyl]-N,N-dimethyl-4-oxo-1-phenylquinoline-2-carboxamide is CN(C)C(=O)c1c(CNC(=O)c2ccc(F)cc2)c(=O)c2ccc(Cl)cc2n1-c1ccccc1.
What is the InChIKey of 7-chloro-3-[[(4-fluorobenzoyl)amino]methyl]-N,N-dimethyl-4-oxo-1-phenylquinoline-2-carboxamide?
The InChIKey is XOENIUJSRSAUGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21ClFN3O3/c1-30(2)26(34)23-21(15-29-25(33)16-8-11-18(28)12-9-16)24(32)20-13-10-17(27)14-22(20)31(23)19-6-4-3-5-7-19/h3-14H,15H2,1-2H3,(H,29,33).
What are the key properties of 7-chloro-3-[[(4-fluorobenzoyl)amino]methyl]-N,N-dimethyl-4-oxo-1-phenylquinoline-2-carboxamide?
7-chloro-3-[[(4-fluorobenzoyl)amino]methyl]-N,N-dimethyl-4-oxo-1-phenylquinoline-2-carboxamide has a molecular weight of 477.92 g/mol, XLogP of 4.41, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3-[[(4-fluorobenzoyl)amino]methyl]-N,N-dimethyl-4-oxo-1-phenylquinoline-2-carboxamide is sourced from PubChem (CID 71208579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).