N-(4-chloro-3-methylphenyl)-N-[1-(4-fluorobenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]propanamide

C27H26ClFN2O2 — CID 58859735

IUPACN-(4-chloro-3-methylphenyl)-N-[1-(4-fluorobenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]propanamide
SMILESCCC(=O)N(c1ccc(Cl)c(C)c1)C1CC(C)N(C(=O)c2ccc(F)cc2)c2ccccc21
InChIInChI=1S/C27H26ClFN2O2/c1-4-26(32)31(21-13-14-23(28)17(2)15-21)25-16-18(3)30(24-8-6-5-7-22(24)25)27(33)19-9-11-20(29)12-10-19/h5-15,18,25H,4,16H2,1-3H3
InChIKeyCKZULZUCYKAZLF-UHFFFAOYSA-N
MW464.97 g/mol
LogP6.71
Rot. Bonds4

About N-(4-chloro-3-methylphenyl)-N-[1-(4-fluorobenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]propanamide

N-(4-chloro-3-methylphenyl)-N-[1-(4-fluorobenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]propanamide (PubChem CID 58859735) has the molecular formula C27H26ClFN2O2 and a molecular weight of 464.97 g/mol. Its IUPAC name is N-(4-chloro-3-methylphenyl)-N-[1-(4-fluorobenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]propanamide.

Molecular Properties

Compound NameN-(4-chloro-3-methylphenyl)-N-[1-(4-fluorobenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]propanamide
PubChem CID58859735
Molecular FormulaC27H26ClFN2O2
Molecular Weight464.97 g/mol
Exact Mass464.17
IUPAC NameN-(4-chloro-3-methylphenyl)-N-[1-(4-fluorobenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]propanamide
SMILESCCC(=O)N(c1ccc(Cl)c(C)c1)C1CC(C)N(C(=O)c2ccc(F)cc2)c2ccccc21
InChIInChI=1S/C27H26ClFN2O2/c1-4-26(32)31(21-13-14-23(28)17(2)15-21)25-16-18(3)30(24-8-6-5-7-22(24)25)27(33)19-9-11-20(29)12-10-19/h5-15,18,25H,4,16H2,1-3H3
InChIKeyCKZULZUCYKAZLF-UHFFFAOYSA-N
XLogP6.71
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.97
LogP ≤ 56.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-methylphenyl)-N-[1-(4-fluorobenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]propanamide?
The IUPAC name of N-(4-chloro-3-methylphenyl)-N-[1-(4-fluorobenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]propanamide (CID 58859735) is N-(4-chloro-3-methylphenyl)-N-[1-(4-fluorobenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]propanamide.
What is the SMILES notation for N-(4-chloro-3-methylphenyl)-N-[1-(4-fluorobenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]propanamide?
The canonical SMILES for N-(4-chloro-3-methylphenyl)-N-[1-(4-fluorobenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]propanamide is CCC(=O)N(c1ccc(Cl)c(C)c1)C1CC(C)N(C(=O)c2ccc(F)cc2)c2ccccc21.
What is the InChIKey of N-(4-chloro-3-methylphenyl)-N-[1-(4-fluorobenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]propanamide?
The InChIKey is CKZULZUCYKAZLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26ClFN2O2/c1-4-26(32)31(21-13-14-23(28)17(2)15-21)25-16-18(3)30(24-8-6-5-7-22(24)25)27(33)19-9-11-20(29)12-10-19/h5-15,18,25H,4,16H2,1-3H3.
What are the key properties of N-(4-chloro-3-methylphenyl)-N-[1-(4-fluorobenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]propanamide?
N-(4-chloro-3-methylphenyl)-N-[1-(4-fluorobenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]propanamide has a molecular weight of 464.97 g/mol, XLogP of 6.71, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-3-methylphenyl)-N-[1-(4-fluorobenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]propanamide is sourced from PubChem (CID 58859735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).