methyl 7-chloro-2-phenyl-[1,3]oxazolo[5,4-f]quinoline-9-carboxylate

C18H11ClN2O3 — CID 88850339

IUPACmethyl 7-chloro-2-phenyl-[1,3]oxazolo[5,4-f]quinoline-9-carboxylate
SMILESCOC(=O)c1cc(Cl)nc2ccc3nc(-c4ccccc4)oc3c12
InChIInChI=1S/C18H11ClN2O3/c1-23-18(22)11-9-14(19)20-12-7-8-13-16(15(11)12)24-17(21-13)10-5-3-2-4-6-10/h2-9H,1H3
InChIKeyYZWFMLXWMREAQN-UHFFFAOYSA-N
MW338.75 g/mol
LogP4.48
Rot. Bonds2

About methyl 7-chloro-2-phenyl-[1,3]oxazolo[5,4-f]quinoline-9-carboxylate

methyl 7-chloro-2-phenyl-[1,3]oxazolo[5,4-f]quinoline-9-carboxylate (PubChem CID 88850339) has the molecular formula C18H11ClN2O3 and a molecular weight of 338.75 g/mol. Its IUPAC name is methyl 7-chloro-2-phenyl-[1,3]oxazolo[5,4-f]quinoline-9-carboxylate.

Molecular Properties

Compound Namemethyl 7-chloro-2-phenyl-[1,3]oxazolo[5,4-f]quinoline-9-carboxylate
PubChem CID88850339
Molecular FormulaC18H11ClN2O3
Molecular Weight338.75 g/mol
Exact Mass338.05
IUPAC Namemethyl 7-chloro-2-phenyl-[1,3]oxazolo[5,4-f]quinoline-9-carboxylate
SMILESCOC(=O)c1cc(Cl)nc2ccc3nc(-c4ccccc4)oc3c12
InChIInChI=1S/C18H11ClN2O3/c1-23-18(22)11-9-14(19)20-12-7-8-13-16(15(11)12)24-17(21-13)10-5-3-2-4-6-10/h2-9H,1H3
InChIKeyYZWFMLXWMREAQN-UHFFFAOYSA-N
XLogP4.48
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.75
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

methyl 2-chloroquinoline-4-carboxylate
CID 5202936
methyl 7-chloro-2-phenyltriazolo[4,5-f]quinoline-9-carboxylate
CID 88850316
methyl 2-pyridin-3-yl-1,3-benzoxazole-7-carboxylate
CID 66621160
methyl 2-[3-(methylaminomethyl)phenyl]-1,3-benzoxazole-7-carboxylate
CID 66621015
methyl 2-[3-[(dimethylamino)methyl]phenyl]-1,3-benzoxazole-7-carboxylate
CID 66621354
methyl 2-(4-nitrophenyl)-1,3-benzoxazole-7-carboxylate
CID 12000588
methyl 2-chloro-6-fluoroquinoline-4-carboxylate
CID 50742482
methyl 2-chloro-4-(5,7-dichloro-1,3-benzoxazol-2-yl)benzoate
CID 50850835
2-(4-chlorophenyl)-1,3-benzoxazole-7-carboxylic acid
CID 59625768
7-chloro-2-(4-phenylphenyl)-[1]benzofuro[2,3-g][1,3]benzoxazole
CID 167123613
methyl 2-(1H-indol-2-yl)-1,3-benzoxazole-7-carboxylate
CID 66621353
2-(3-fluorophenyl)-1,3-benzoxazole-7-carboxylic acid;2-phenyl-1,3-benzoxazole-7-carboxylic acid
CID 158103086

Frequently Asked Questions

What is the IUPAC name of methyl 7-chloro-2-phenyl-[1,3]oxazolo[5,4-f]quinoline-9-carboxylate?
The IUPAC name of methyl 7-chloro-2-phenyl-[1,3]oxazolo[5,4-f]quinoline-9-carboxylate (CID 88850339) is methyl 7-chloro-2-phenyl-[1,3]oxazolo[5,4-f]quinoline-9-carboxylate.
What is the SMILES notation for methyl 7-chloro-2-phenyl-[1,3]oxazolo[5,4-f]quinoline-9-carboxylate?
The canonical SMILES for methyl 7-chloro-2-phenyl-[1,3]oxazolo[5,4-f]quinoline-9-carboxylate is COC(=O)c1cc(Cl)nc2ccc3nc(-c4ccccc4)oc3c12.
What is the InChIKey of methyl 7-chloro-2-phenyl-[1,3]oxazolo[5,4-f]quinoline-9-carboxylate?
The InChIKey is YZWFMLXWMREAQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11ClN2O3/c1-23-18(22)11-9-14(19)20-12-7-8-13-16(15(11)12)24-17(21-13)10-5-3-2-4-6-10/h2-9H,1H3.
What are the key properties of methyl 7-chloro-2-phenyl-[1,3]oxazolo[5,4-f]quinoline-9-carboxylate?
methyl 7-chloro-2-phenyl-[1,3]oxazolo[5,4-f]quinoline-9-carboxylate has a molecular weight of 338.75 g/mol, XLogP of 4.48, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-chloro-2-phenyl-[1,3]oxazolo[5,4-f]quinoline-9-carboxylate is sourced from PubChem (CID 88850339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).