propan-2-yl 6-chloro-3-(4-methoxyphenyl)-2-oxo-1H-quinoline-4-carboxylate

C20H18ClNO4 — CID 54471266

IUPACpropan-2-yl 6-chloro-3-(4-methoxyphenyl)-2-oxo-1H-quinoline-4-carboxylate
SMILESCOc1ccc(-c2c(C(=O)OC(C)C)c3cc(Cl)ccc3[nH]c2=O)cc1
InChIInChI=1S/C20H18ClNO4/c1-11(2)26-20(24)18-15-10-13(21)6-9-16(15)22-19(23)17(18)12-4-7-14(25-3)8-5-12/h4-11H,1-3H3,(H,22,23)
InChIKeyXINQODMJKLIALF-UHFFFAOYSA-N
MW371.82 g/mol
LogP4.42
Rot. Bonds4

About propan-2-yl 6-chloro-3-(4-methoxyphenyl)-2-oxo-1H-quinoline-4-carboxylate

propan-2-yl 6-chloro-3-(4-methoxyphenyl)-2-oxo-1H-quinoline-4-carboxylate (PubChem CID 54471266) has the molecular formula C20H18ClNO4 and a molecular weight of 371.82 g/mol. Its IUPAC name is propan-2-yl 6-chloro-3-(4-methoxyphenyl)-2-oxo-1H-quinoline-4-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 6-chloro-3-(4-methoxyphenyl)-2-oxo-1H-quinoline-4-carboxylate
PubChem CID54471266
Molecular FormulaC20H18ClNO4
Molecular Weight371.82 g/mol
Exact Mass371.09
IUPAC Namepropan-2-yl 6-chloro-3-(4-methoxyphenyl)-2-oxo-1H-quinoline-4-carboxylate
SMILESCOc1ccc(-c2c(C(=O)OC(C)C)c3cc(Cl)ccc3[nH]c2=O)cc1
InChIInChI=1S/C20H18ClNO4/c1-11(2)26-20(24)18-15-10-13(21)6-9-16(15)22-19(23)17(18)12-4-7-14(25-3)8-5-12/h4-11H,1-3H3,(H,22,23)
InChIKeyXINQODMJKLIALF-UHFFFAOYSA-N
XLogP4.42
TPSA68.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.82
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-3-[3-(4-methoxyphenyl)prop-2-enoyl]-4-phenyl-1H-quinolin-2-one
CID 3123581
(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl) acetate
CID 174726646
6-chloro-3-[(E)-3-(6-methoxy-1H-benzimidazol-2-yl)prop-2-enoyl]-4-phenyl-1H-quinolin-2-one
CID 134247947
propan-2-yl 4-(4-chlorophenyl)-2-methyl-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridine-3-carboxylate
CID 21255218
5-chloro-3-iodo-N-[(1R)-1-(4-methoxyphenyl)ethyl]-1H-indole-2-carboxamide
CID 58475128
5-chloro-3-cyclopropyl-2-(4-methoxyphenyl)-1H-indole
CID 143870441
ethane;propan-2-yl 4,5-difluoro-6-(4-methoxyphenyl)pyridine-2-carboxylate
CID 144561639
3-amino-6-methoxy-2-oxo-1H-quinoline-4-carboxylic acid
CID 115039979
ethyl 3-(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)benzoate
CID 59654994
6-chloro-3-(4-methoxyphenyl)-1H-quinolin-4-one
CID 166443646
N-(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)acetamide
CID 44561346
6-chloro-3-[2-(cyclopropanecarbonyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazol-5-yl]-4-methyl-1H-quinolin-2-one
CID 169157845

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 6-chloro-3-(4-methoxyphenyl)-2-oxo-1H-quinoline-4-carboxylate?
The IUPAC name of propan-2-yl 6-chloro-3-(4-methoxyphenyl)-2-oxo-1H-quinoline-4-carboxylate (CID 54471266) is propan-2-yl 6-chloro-3-(4-methoxyphenyl)-2-oxo-1H-quinoline-4-carboxylate.
What is the SMILES notation for propan-2-yl 6-chloro-3-(4-methoxyphenyl)-2-oxo-1H-quinoline-4-carboxylate?
The canonical SMILES for propan-2-yl 6-chloro-3-(4-methoxyphenyl)-2-oxo-1H-quinoline-4-carboxylate is COc1ccc(-c2c(C(=O)OC(C)C)c3cc(Cl)ccc3[nH]c2=O)cc1.
What is the InChIKey of propan-2-yl 6-chloro-3-(4-methoxyphenyl)-2-oxo-1H-quinoline-4-carboxylate?
The InChIKey is XINQODMJKLIALF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClNO4/c1-11(2)26-20(24)18-15-10-13(21)6-9-16(15)22-19(23)17(18)12-4-7-14(25-3)8-5-12/h4-11H,1-3H3,(H,22,23).
What are the key properties of propan-2-yl 6-chloro-3-(4-methoxyphenyl)-2-oxo-1H-quinoline-4-carboxylate?
propan-2-yl 6-chloro-3-(4-methoxyphenyl)-2-oxo-1H-quinoline-4-carboxylate has a molecular weight of 371.82 g/mol, XLogP of 4.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 6-chloro-3-(4-methoxyphenyl)-2-oxo-1H-quinoline-4-carboxylate is sourced from PubChem (CID 54471266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).