(2,5-dichloro-3-phenylimidazol-4-yl)methyl (4R)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxylate

C20H15Cl2N3O3 — CID 94536719

IUPAC(2,5-dichloro-3-phenylimidazol-4-yl)methyl (4R)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxylate
SMILESO=C1C[C@@H](C(=O)OCc2c(Cl)nc(Cl)n2-c2ccccc2)c2ccccc2N1
InChIInChI=1S/C20H15Cl2N3O3/c21-18-16(25(20(22)24-18)12-6-2-1-3-7-12)11-28-19(27)14-10-17(26)23-15-9-5-4-8-13(14)15/h1-9,14H,10-11H2,(H,23,26)/t14-/m1/s1
InChIKeySBTKEFUTVNNNRN-CQSZACIVSA-N
MW416.26 g/mol
LogP4.35
Rot. Bonds4

About (2,5-dichloro-3-phenylimidazol-4-yl)methyl (4R)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxylate

(2,5-dichloro-3-phenylimidazol-4-yl)methyl (4R)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxylate (PubChem CID 94536719) has the molecular formula C20H15Cl2N3O3 and a molecular weight of 416.26 g/mol. Its IUPAC name is (2,5-dichloro-3-phenylimidazol-4-yl)methyl (4R)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxylate.

Molecular Properties

Compound Name(2,5-dichloro-3-phenylimidazol-4-yl)methyl (4R)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxylate
PubChem CID94536719
Molecular FormulaC20H15Cl2N3O3
Molecular Weight416.26 g/mol
Exact Mass415.05
IUPAC Name(2,5-dichloro-3-phenylimidazol-4-yl)methyl (4R)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxylate
SMILESO=C1C[C@@H](C(=O)OCc2c(Cl)nc(Cl)n2-c2ccccc2)c2ccccc2N1
InChIInChI=1S/C20H15Cl2N3O3/c21-18-16(25(20(22)24-18)12-6-2-1-3-7-12)11-28-19(27)14-10-17(26)23-15-9-5-4-8-13(14)15/h1-9,14H,10-11H2,(H,23,26)/t14-/m1/s1
InChIKeySBTKEFUTVNNNRN-CQSZACIVSA-N
XLogP4.35
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.26
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2,5-dichloro-3-phenylimidazol-4-yl)methyl (4R)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxylate with MolForge

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Related Compounds

(4-phenylphenyl)methyl 2-oxo-3,4-dihydro-1H-quinoline-4-carboxylate
CID 24603462
(3-chloro-1-benzothiophen-2-yl)methyl 7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxylate
CID 24657424
2-oxo-N-phenyl-3,4-dihydro-1H-quinoline-4-carboxamide
CID 17493174
ethyl 2,5-dioxo-3,4-dihydro-1H-1-benzazepine-4-carboxylate
CID 25272250
(4S)-N-(4-chlorophenyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 51478917
N-(2-aminoethyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide;hydrochloride
CID 119384935
(2,5-dichloro-3-phenylimidazol-4-yl)methyl 4-(methylsulfonylmethyl)benzoate
CID 78903965
(3S)-2-[(4R)-2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
CID 125133003
(2,4-dimethylphenyl) 2-oxo-3,4-dihydro-1H-quinoline-4-carboxylate
CID 24603447
(4R)-N-(5-chloro-2-pyridinyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 33328669
1-(2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)piperidine-4-carboxylic acid
CID 119135688
[(1S)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl] (4R)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxylate
CID 96524560

Frequently Asked Questions

What is the IUPAC name of (2,5-dichloro-3-phenylimidazol-4-yl)methyl (4R)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxylate?
The IUPAC name of (2,5-dichloro-3-phenylimidazol-4-yl)methyl (4R)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxylate (CID 94536719) is (2,5-dichloro-3-phenylimidazol-4-yl)methyl (4R)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxylate.
What is the SMILES notation for (2,5-dichloro-3-phenylimidazol-4-yl)methyl (4R)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxylate?
The canonical SMILES for (2,5-dichloro-3-phenylimidazol-4-yl)methyl (4R)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxylate is O=C1C[C@@H](C(=O)OCc2c(Cl)nc(Cl)n2-c2ccccc2)c2ccccc2N1.
What is the InChIKey of (2,5-dichloro-3-phenylimidazol-4-yl)methyl (4R)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxylate?
The InChIKey is SBTKEFUTVNNNRN-CQSZACIVSA-N. The full InChI is InChI=1S/C20H15Cl2N3O3/c21-18-16(25(20(22)24-18)12-6-2-1-3-7-12)11-28-19(27)14-10-17(26)23-15-9-5-4-8-13(14)15/h1-9,14H,10-11H2,(H,23,26)/t14-/m1/s1.
What are the key properties of (2,5-dichloro-3-phenylimidazol-4-yl)methyl (4R)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxylate?
(2,5-dichloro-3-phenylimidazol-4-yl)methyl (4R)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxylate has a molecular weight of 416.26 g/mol, XLogP of 4.35, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dichloro-3-phenylimidazol-4-yl)methyl (4R)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxylate is sourced from PubChem (CID 94536719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).