5-[1-(2-chloro-6-fluorobenzoyl)-3,4-dihydro-2H-quinolin-6-yl]-2-fluorobenzamide

C23H17ClF2N2O2 — CID 72721993

IUPAC5-[1-(2-chloro-6-fluorobenzoyl)-3,4-dihydro-2H-quinolin-6-yl]-2-fluorobenzamide
SMILESNC(=O)c1cc(-c2ccc3c(c2)CCCN3C(=O)c2c(F)cccc2Cl)ccc1F
InChIInChI=1S/C23H17ClF2N2O2/c24-17-4-1-5-19(26)21(17)23(30)28-10-2-3-15-11-13(7-9-20(15)28)14-6-8-18(25)16(12-14)22(27)29/h1,4-9,11-12H,2-3,10H2,(H2,27,29)
InChIKeyYOLLUTSUMZFIIN-UHFFFAOYSA-N
MW426.85 g/mol
LogP4.98
Rot. Bonds3

About 5-[1-(2-chloro-6-fluorobenzoyl)-3,4-dihydro-2H-quinolin-6-yl]-2-fluorobenzamide

5-[1-(2-chloro-6-fluorobenzoyl)-3,4-dihydro-2H-quinolin-6-yl]-2-fluorobenzamide (PubChem CID 72721993) has the molecular formula C23H17ClF2N2O2 and a molecular weight of 426.85 g/mol. Its IUPAC name is 5-[1-(2-chloro-6-fluorobenzoyl)-3,4-dihydro-2H-quinolin-6-yl]-2-fluorobenzamide.

Molecular Properties

Compound Name5-[1-(2-chloro-6-fluorobenzoyl)-3,4-dihydro-2H-quinolin-6-yl]-2-fluorobenzamide
PubChem CID72721993
Molecular FormulaC23H17ClF2N2O2
Molecular Weight426.85 g/mol
Exact Mass426.09
IUPAC Name5-[1-(2-chloro-6-fluorobenzoyl)-3,4-dihydro-2H-quinolin-6-yl]-2-fluorobenzamide
SMILESNC(=O)c1cc(-c2ccc3c(c2)CCCN3C(=O)c2c(F)cccc2Cl)ccc1F
InChIInChI=1S/C23H17ClF2N2O2/c24-17-4-1-5-19(26)21(17)23(30)28-10-2-3-15-11-13(7-9-20(15)28)14-6-8-18(25)16(12-14)22(27)29/h1,4-9,11-12H,2-3,10H2,(H2,27,29)
InChIKeyYOLLUTSUMZFIIN-UHFFFAOYSA-N
XLogP4.98
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.85
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(2-chloro-6-fluorobenzoyl)-3,4-dihydro-2H-quinolin-6-yl]-2-fluorobenzamide?
The IUPAC name of 5-[1-(2-chloro-6-fluorobenzoyl)-3,4-dihydro-2H-quinolin-6-yl]-2-fluorobenzamide (CID 72721993) is 5-[1-(2-chloro-6-fluorobenzoyl)-3,4-dihydro-2H-quinolin-6-yl]-2-fluorobenzamide.
What is the SMILES notation for 5-[1-(2-chloro-6-fluorobenzoyl)-3,4-dihydro-2H-quinolin-6-yl]-2-fluorobenzamide?
The canonical SMILES for 5-[1-(2-chloro-6-fluorobenzoyl)-3,4-dihydro-2H-quinolin-6-yl]-2-fluorobenzamide is NC(=O)c1cc(-c2ccc3c(c2)CCCN3C(=O)c2c(F)cccc2Cl)ccc1F.
What is the InChIKey of 5-[1-(2-chloro-6-fluorobenzoyl)-3,4-dihydro-2H-quinolin-6-yl]-2-fluorobenzamide?
The InChIKey is YOLLUTSUMZFIIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17ClF2N2O2/c24-17-4-1-5-19(26)21(17)23(30)28-10-2-3-15-11-13(7-9-20(15)28)14-6-8-18(25)16(12-14)22(27)29/h1,4-9,11-12H,2-3,10H2,(H2,27,29).
What are the key properties of 5-[1-(2-chloro-6-fluorobenzoyl)-3,4-dihydro-2H-quinolin-6-yl]-2-fluorobenzamide?
5-[1-(2-chloro-6-fluorobenzoyl)-3,4-dihydro-2H-quinolin-6-yl]-2-fluorobenzamide has a molecular weight of 426.85 g/mol, XLogP of 4.98, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(2-chloro-6-fluorobenzoyl)-3,4-dihydro-2H-quinolin-6-yl]-2-fluorobenzamide is sourced from PubChem (CID 72721993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).