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

C23H17Cl2FN2O2 — CID 72720884

IUPAC4-chloro-3-[1-(2-chloro-6-fluorobenzoyl)-3,4-dihydro-2H-quinolin-6-yl]benzamide
SMILESNC(=O)c1ccc(Cl)c(-c2ccc3c(c2)CCCN3C(=O)c2c(F)cccc2Cl)c1
InChIInChI=1S/C23H17Cl2FN2O2/c24-17-8-6-15(22(27)29)12-16(17)13-7-9-20-14(11-13)3-2-10-28(20)23(30)21-18(25)4-1-5-19(21)26/h1,4-9,11-12H,2-3,10H2,(H2,27,29)
InChIKeyAEMWHCBMHIEPMC-UHFFFAOYSA-N
MW443.31 g/mol
LogP5.49
Rot. Bonds3

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

4-chloro-3-[1-(2-chloro-6-fluorobenzoyl)-3,4-dihydro-2H-quinolin-6-yl]benzamide (PubChem CID 72720884) has the molecular formula C23H17Cl2FN2O2 and a molecular weight of 443.31 g/mol. Its IUPAC name is 4-chloro-3-[1-(2-chloro-6-fluorobenzoyl)-3,4-dihydro-2H-quinolin-6-yl]benzamide.

Molecular Properties

Compound Name4-chloro-3-[1-(2-chloro-6-fluorobenzoyl)-3,4-dihydro-2H-quinolin-6-yl]benzamide
PubChem CID72720884
Molecular FormulaC23H17Cl2FN2O2
Molecular Weight443.31 g/mol
Exact Mass442.07
IUPAC Name4-chloro-3-[1-(2-chloro-6-fluorobenzoyl)-3,4-dihydro-2H-quinolin-6-yl]benzamide
SMILESNC(=O)c1ccc(Cl)c(-c2ccc3c(c2)CCCN3C(=O)c2c(F)cccc2Cl)c1
InChIInChI=1S/C23H17Cl2FN2O2/c24-17-8-6-15(22(27)29)12-16(17)13-7-9-20-14(11-13)3-2-10-28(20)23(30)21-18(25)4-1-5-19(21)26/h1,4-9,11-12H,2-3,10H2,(H2,27,29)
InChIKeyAEMWHCBMHIEPMC-UHFFFAOYSA-N
XLogP5.49
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.31
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-[1-(2-chloro-6-fluorobenzoyl)-3,4-dihydro-2H-quinolin-6-yl]benzamide?
The IUPAC name of 4-chloro-3-[1-(2-chloro-6-fluorobenzoyl)-3,4-dihydro-2H-quinolin-6-yl]benzamide (CID 72720884) is 4-chloro-3-[1-(2-chloro-6-fluorobenzoyl)-3,4-dihydro-2H-quinolin-6-yl]benzamide.
What is the SMILES notation for 4-chloro-3-[1-(2-chloro-6-fluorobenzoyl)-3,4-dihydro-2H-quinolin-6-yl]benzamide?
The canonical SMILES for 4-chloro-3-[1-(2-chloro-6-fluorobenzoyl)-3,4-dihydro-2H-quinolin-6-yl]benzamide is NC(=O)c1ccc(Cl)c(-c2ccc3c(c2)CCCN3C(=O)c2c(F)cccc2Cl)c1.
What is the InChIKey of 4-chloro-3-[1-(2-chloro-6-fluorobenzoyl)-3,4-dihydro-2H-quinolin-6-yl]benzamide?
The InChIKey is AEMWHCBMHIEPMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17Cl2FN2O2/c24-17-8-6-15(22(27)29)12-16(17)13-7-9-20-14(11-13)3-2-10-28(20)23(30)21-18(25)4-1-5-19(21)26/h1,4-9,11-12H,2-3,10H2,(H2,27,29).
What are the key properties of 4-chloro-3-[1-(2-chloro-6-fluorobenzoyl)-3,4-dihydro-2H-quinolin-6-yl]benzamide?
4-chloro-3-[1-(2-chloro-6-fluorobenzoyl)-3,4-dihydro-2H-quinolin-6-yl]benzamide has a molecular weight of 443.31 g/mol, XLogP of 5.49, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-[1-(2-chloro-6-fluorobenzoyl)-3,4-dihydro-2H-quinolin-6-yl]benzamide is sourced from PubChem (CID 72720884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).