(3-chloro-4-methylquinolin-2-yl)methyl 2-(1,2-benzoxazol-3-yl)acetate

C20H15ClN2O3 — CID 8985221

IUPAC(3-chloro-4-methylquinolin-2-yl)methyl 2-(1,2-benzoxazol-3-yl)acetate
SMILESCc1c(Cl)c(COC(=O)Cc2noc3ccccc23)nc2ccccc12
InChIInChI=1S/C20H15ClN2O3/c1-12-13-6-2-4-8-15(13)22-17(20(12)21)11-25-19(24)10-16-14-7-3-5-9-18(14)26-23-16/h2-9H,10-11H2,1H3
InChIKeyVWPBWMPQJIQKTB-UHFFFAOYSA-N
MW366.80 g/mol
LogP4.62
Rot. Bonds4

About (3-chloro-4-methylquinolin-2-yl)methyl 2-(1,2-benzoxazol-3-yl)acetate

(3-chloro-4-methylquinolin-2-yl)methyl 2-(1,2-benzoxazol-3-yl)acetate (PubChem CID 8985221) has the molecular formula C20H15ClN2O3 and a molecular weight of 366.80 g/mol. Its IUPAC name is (3-chloro-4-methylquinolin-2-yl)methyl 2-(1,2-benzoxazol-3-yl)acetate.

Molecular Properties

Compound Name(3-chloro-4-methylquinolin-2-yl)methyl 2-(1,2-benzoxazol-3-yl)acetate
PubChem CID8985221
Molecular FormulaC20H15ClN2O3
Molecular Weight366.80 g/mol
Exact Mass366.08
IUPAC Name(3-chloro-4-methylquinolin-2-yl)methyl 2-(1,2-benzoxazol-3-yl)acetate
SMILESCc1c(Cl)c(COC(=O)Cc2noc3ccccc23)nc2ccccc12
InChIInChI=1S/C20H15ClN2O3/c1-12-13-6-2-4-8-15(13)22-17(20(12)21)11-25-19(24)10-16-14-7-3-5-9-18(14)26-23-16/h2-9H,10-11H2,1H3
InChIKeyVWPBWMPQJIQKTB-UHFFFAOYSA-N
XLogP4.62
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.80
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(3-chloro-4-methylquinolin-2-yl)methyl 2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetate
CID 55425356
(3-chloro-4-methylquinolin-2-yl)methyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
CID 8948698
2-(1,2-benzoxazol-3-yl)acetamide;2-(1,2-benzoxazol-3-yl)acetic acid;methyl 2-(1,2-benzoxazol-3-yl)acetate
CID 160649759
[4-(phenylcarbamoyl)phenyl]methyl 2-(1,2-benzoxazol-3-yl)acetate
CID 8985206
[2-(5-methylthiophen-2-yl)-2-oxoethyl] 2-(1,2-benzoxazol-3-yl)acetate
CID 8985512
(4-oxo-1,2,3-benzotriazin-3-yl)methyl 2-(1,2-benzoxazol-3-yl)acetate
CID 8983109
[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 2-(1,2-benzoxazol-3-yl)acetate
CID 135817635
(3-chloro-4-methylquinolin-2-yl)methyl 2-fluoro-5-sulfamoylbenzoate
CID 9487702
(3-chloro-4-methylquinolin-2-yl)methyl (2S)-2-[(3aS,7aS)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]propanoate
CID 8846173
(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 2-(1,2-benzoxazol-3-yl)acetate
CID 8985279
(6-acetyl-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl 2-(1,2-benzoxazol-3-yl)acetate
CID 9473438
[2-[(2,3-dimethylphenyl)carbamoylamino]-2-oxoethyl] 2-(1,2-benzoxazol-3-yl)acetate
CID 9473469

Frequently Asked Questions

What is the IUPAC name of (3-chloro-4-methylquinolin-2-yl)methyl 2-(1,2-benzoxazol-3-yl)acetate?
The IUPAC name of (3-chloro-4-methylquinolin-2-yl)methyl 2-(1,2-benzoxazol-3-yl)acetate (CID 8985221) is (3-chloro-4-methylquinolin-2-yl)methyl 2-(1,2-benzoxazol-3-yl)acetate.
What is the SMILES notation for (3-chloro-4-methylquinolin-2-yl)methyl 2-(1,2-benzoxazol-3-yl)acetate?
The canonical SMILES for (3-chloro-4-methylquinolin-2-yl)methyl 2-(1,2-benzoxazol-3-yl)acetate is Cc1c(Cl)c(COC(=O)Cc2noc3ccccc23)nc2ccccc12.
What is the InChIKey of (3-chloro-4-methylquinolin-2-yl)methyl 2-(1,2-benzoxazol-3-yl)acetate?
The InChIKey is VWPBWMPQJIQKTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClN2O3/c1-12-13-6-2-4-8-15(13)22-17(20(12)21)11-25-19(24)10-16-14-7-3-5-9-18(14)26-23-16/h2-9H,10-11H2,1H3.
What are the key properties of (3-chloro-4-methylquinolin-2-yl)methyl 2-(1,2-benzoxazol-3-yl)acetate?
(3-chloro-4-methylquinolin-2-yl)methyl 2-(1,2-benzoxazol-3-yl)acetate has a molecular weight of 366.80 g/mol, XLogP of 4.62, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-4-methylquinolin-2-yl)methyl 2-(1,2-benzoxazol-3-yl)acetate is sourced from PubChem (CID 8985221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).