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

C24H20ClFN2O3 — CID 72722090

IUPAC3-[1-(2-chloro-6-fluorobenzoyl)-3,4-dihydro-2H-quinolin-6-yl]-4-methoxybenzamide
SMILESCOc1ccc(C(N)=O)cc1-c1ccc2c(c1)CCCN2C(=O)c1c(F)cccc1Cl
InChIInChI=1S/C24H20ClFN2O3/c1-31-21-10-8-16(23(27)29)13-17(21)14-7-9-20-15(12-14)4-3-11-28(20)24(30)22-18(25)5-2-6-19(22)26/h2,5-10,12-13H,3-4,11H2,1H3,(H2,27,29)
InChIKeyCNQARGNTGJZZIE-UHFFFAOYSA-N
MW438.89 g/mol
LogP4.85
Rot. Bonds4

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

3-[1-(2-chloro-6-fluorobenzoyl)-3,4-dihydro-2H-quinolin-6-yl]-4-methoxybenzamide (PubChem CID 72722090) has the molecular formula C24H20ClFN2O3 and a molecular weight of 438.89 g/mol. Its IUPAC name is 3-[1-(2-chloro-6-fluorobenzoyl)-3,4-dihydro-2H-quinolin-6-yl]-4-methoxybenzamide.

Molecular Properties

Compound Name3-[1-(2-chloro-6-fluorobenzoyl)-3,4-dihydro-2H-quinolin-6-yl]-4-methoxybenzamide
PubChem CID72722090
Molecular FormulaC24H20ClFN2O3
Molecular Weight438.89 g/mol
Exact Mass438.11
IUPAC Name3-[1-(2-chloro-6-fluorobenzoyl)-3,4-dihydro-2H-quinolin-6-yl]-4-methoxybenzamide
SMILESCOc1ccc(C(N)=O)cc1-c1ccc2c(c1)CCCN2C(=O)c1c(F)cccc1Cl
InChIInChI=1S/C24H20ClFN2O3/c1-31-21-10-8-16(23(27)29)13-17(21)14-7-9-20-15(12-14)4-3-11-28(20)24(30)22-18(25)5-2-6-19(22)26/h2,5-10,12-13H,3-4,11H2,1H3,(H2,27,29)
InChIKeyCNQARGNTGJZZIE-UHFFFAOYSA-N
XLogP4.85
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.89
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-chloro-6-fluorobenzoyl)-3,4-dihydro-2H-quinolin-6-yl]-4-methoxybenzamide?
The IUPAC name of 3-[1-(2-chloro-6-fluorobenzoyl)-3,4-dihydro-2H-quinolin-6-yl]-4-methoxybenzamide (CID 72722090) is 3-[1-(2-chloro-6-fluorobenzoyl)-3,4-dihydro-2H-quinolin-6-yl]-4-methoxybenzamide.
What is the SMILES notation for 3-[1-(2-chloro-6-fluorobenzoyl)-3,4-dihydro-2H-quinolin-6-yl]-4-methoxybenzamide?
The canonical SMILES for 3-[1-(2-chloro-6-fluorobenzoyl)-3,4-dihydro-2H-quinolin-6-yl]-4-methoxybenzamide is COc1ccc(C(N)=O)cc1-c1ccc2c(c1)CCCN2C(=O)c1c(F)cccc1Cl.
What is the InChIKey of 3-[1-(2-chloro-6-fluorobenzoyl)-3,4-dihydro-2H-quinolin-6-yl]-4-methoxybenzamide?
The InChIKey is CNQARGNTGJZZIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClFN2O3/c1-31-21-10-8-16(23(27)29)13-17(21)14-7-9-20-15(12-14)4-3-11-28(20)24(30)22-18(25)5-2-6-19(22)26/h2,5-10,12-13H,3-4,11H2,1H3,(H2,27,29).
What are the key properties of 3-[1-(2-chloro-6-fluorobenzoyl)-3,4-dihydro-2H-quinolin-6-yl]-4-methoxybenzamide?
3-[1-(2-chloro-6-fluorobenzoyl)-3,4-dihydro-2H-quinolin-6-yl]-4-methoxybenzamide has a molecular weight of 438.89 g/mol, XLogP of 4.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-chloro-6-fluorobenzoyl)-3,4-dihydro-2H-quinolin-6-yl]-4-methoxybenzamide is sourced from PubChem (CID 72722090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).