[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 2-(2-chlorophenyl)quinoline-4-carboxylate

C26H18ClN3O3 — CID 135928214

IUPAC[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 2-(2-chlorophenyl)quinoline-4-carboxylate
SMILESC[C@@H](OC(=O)c1cc(-c2ccccc2Cl)nc2ccccc12)c1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C26H18ClN3O3/c1-15(24-29-22-13-7-4-10-18(22)25(31)30-24)33-26(32)19-14-23(17-9-2-5-11-20(17)27)28-21-12-6-3-8-16(19)21/h2-15H,1H3,(H,29,30,31)/t15-/m1/s1
InChIKeyUFZFWRZAJGLUPP-OAHLLOKOSA-N
MW455.90 g/mol
LogP5.71
Rot. Bonds4

About [(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 2-(2-chlorophenyl)quinoline-4-carboxylate

[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 2-(2-chlorophenyl)quinoline-4-carboxylate (PubChem CID 135928214) has the molecular formula C26H18ClN3O3 and a molecular weight of 455.90 g/mol. Its IUPAC name is [(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 2-(2-chlorophenyl)quinoline-4-carboxylate.

Molecular Properties

Compound Name[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 2-(2-chlorophenyl)quinoline-4-carboxylate
PubChem CID135928214
Molecular FormulaC26H18ClN3O3
Molecular Weight455.90 g/mol
Exact Mass455.10
IUPAC Name[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 2-(2-chlorophenyl)quinoline-4-carboxylate
SMILESC[C@@H](OC(=O)c1cc(-c2ccccc2Cl)nc2ccccc12)c1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C26H18ClN3O3/c1-15(24-29-22-13-7-4-10-18(22)25(31)30-24)33-26(32)19-14-23(17-9-2-5-11-20(17)27)28-21-12-6-3-8-16(19)21/h2-15H,1H3,(H,29,30,31)/t15-/m1/s1
InChIKeyUFZFWRZAJGLUPP-OAHLLOKOSA-N
XLogP5.71
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.90
LogP ≤ 55.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 2-(2-chlorophenyl)quinoline-4-carboxylate with MolForge

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Related Compounds

[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] naphthalene-1-carboxylate
CID 135720127
(1-amino-1-oxopropan-2-yl) 2-(2-chlorophenyl)quinoline-4-carboxylate
CID 18076503
(1-oxo-1-phenylpropan-2-yl) 2-(2-chlorophenyl)quinoline-4-carboxylate
CID 5182622
[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 2-oxo-1H-quinoline-4-carboxylate
CID 135720306
[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 2,5-dimethylbenzoate
CID 135582910
benzhydryl 2-(2-chlorophenyl)quinoline-4-carboxylate
CID 126189047
1-(4-oxo-3H-quinazolin-2-yl)ethyl 2-fluorobenzoate
CID 135906623
[(1S)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 2-(cyanomethyl)benzoate
CID 135890278
[(1S)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 2-(2-cyanophenyl)benzoate
CID 135560860
[(2S)-1-(carbamoylamino)-1-oxopropan-2-yl] 2-(2-chlorophenyl)quinoline-4-carboxylate
CID 2551522
[(1S)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 2-chloro-4,6-dimethylpyridine-3-carboxylate
CID 135780448
[(2S)-1-oxo-1-phenylbutan-2-yl] 2-(2-chlorophenyl)quinoline-4-carboxylate
CID 126186565

Frequently Asked Questions

What is the IUPAC name of [(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 2-(2-chlorophenyl)quinoline-4-carboxylate?
The IUPAC name of [(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 2-(2-chlorophenyl)quinoline-4-carboxylate (CID 135928214) is [(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 2-(2-chlorophenyl)quinoline-4-carboxylate.
What is the SMILES notation for [(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 2-(2-chlorophenyl)quinoline-4-carboxylate?
The canonical SMILES for [(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 2-(2-chlorophenyl)quinoline-4-carboxylate is C[C@@H](OC(=O)c1cc(-c2ccccc2Cl)nc2ccccc12)c1nc2ccccc2c(=O)[nH]1.
What is the InChIKey of [(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 2-(2-chlorophenyl)quinoline-4-carboxylate?
The InChIKey is UFZFWRZAJGLUPP-OAHLLOKOSA-N. The full InChI is InChI=1S/C26H18ClN3O3/c1-15(24-29-22-13-7-4-10-18(22)25(31)30-24)33-26(32)19-14-23(17-9-2-5-11-20(17)27)28-21-12-6-3-8-16(19)21/h2-15H,1H3,(H,29,30,31)/t15-/m1/s1.
What are the key properties of [(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 2-(2-chlorophenyl)quinoline-4-carboxylate?
[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 2-(2-chlorophenyl)quinoline-4-carboxylate has a molecular weight of 455.90 g/mol, XLogP of 5.71, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 2-(2-chlorophenyl)quinoline-4-carboxylate is sourced from PubChem (CID 135928214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).