methyl 2-[[3-[(7-chloroquinolin-2-yl)methoxy]phenoxy]methyl]-6-methylbenzoate

C26H22ClNO4 — CID 22241371

IUPACmethyl 2-[[3-[(7-chloroquinolin-2-yl)methoxy]phenoxy]methyl]-6-methylbenzoate
SMILESCOC(=O)c1c(C)cccc1COc1cccc(OCc2ccc3ccc(Cl)cc3n2)c1
InChIInChI=1S/C26H22ClNO4/c1-17-5-3-6-19(25(17)26(29)30-2)15-31-22-7-4-8-23(14-22)32-16-21-12-10-18-9-11-20(27)13-24(18)28-21/h3-14H,15-16H2,1-2H3
InChIKeyAZQJFJKAUAJKKY-UHFFFAOYSA-N
MW447.92 g/mol
LogP6.14
Rot. Bonds7

About methyl 2-[[3-[(7-chloroquinolin-2-yl)methoxy]phenoxy]methyl]-6-methylbenzoate

methyl 2-[[3-[(7-chloroquinolin-2-yl)methoxy]phenoxy]methyl]-6-methylbenzoate (PubChem CID 22241371) has the molecular formula C26H22ClNO4 and a molecular weight of 447.92 g/mol. Its IUPAC name is methyl 2-[[3-[(7-chloroquinolin-2-yl)methoxy]phenoxy]methyl]-6-methylbenzoate.

Molecular Properties

Compound Namemethyl 2-[[3-[(7-chloroquinolin-2-yl)methoxy]phenoxy]methyl]-6-methylbenzoate
PubChem CID22241371
Molecular FormulaC26H22ClNO4
Molecular Weight447.92 g/mol
Exact Mass447.12
IUPAC Namemethyl 2-[[3-[(7-chloroquinolin-2-yl)methoxy]phenoxy]methyl]-6-methylbenzoate
SMILESCOC(=O)c1c(C)cccc1COc1cccc(OCc2ccc3ccc(Cl)cc3n2)c1
InChIInChI=1S/C26H22ClNO4/c1-17-5-3-6-19(25(17)26(29)30-2)15-31-22-7-4-8-23(14-22)32-16-21-12-10-18-9-11-20(27)13-24(18)28-21/h3-14H,15-16H2,1-2H3
InChIKeyAZQJFJKAUAJKKY-UHFFFAOYSA-N
XLogP6.14
TPSA57.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.92
LogP ≤ 56.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 2-[[3-[(7-chloroquinolin-2-yl)methoxy]phenoxy]methyl]-6-methylbenzoate with MolForge

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Related Compounds

methyl 2-[[3-[(4-chlorophenyl)methoxy]phenoxy]methyl]-6-methylbenzoate
CID 22241525
methyl 2-methyl-6-[(3-phenylmethoxyphenoxy)methyl]benzoate
CID 22241445
methyl 5-chloro-2-[(3R)-3-[3-[(7-chloroquinolin-2-yl)methoxy]phenyl]-3-hydroxypropyl]benzoate
CID 10743848
methyl 2-[[3-[(2,5-dimethylphenyl)methoxy]phenoxy]methyl]-6-methylbenzoate
CID 22241250
methyl 2-methyl-6-[[3-(2-quinolin-2-ylethenyl)phenoxy]methyl]benzoate
CID 90826345
methyl 2-[[3-[(3-bromophenyl)methoxy]phenoxy]methyl]-6-methylbenzoate
CID 22241464
methyl 2-methyl-6-[3-(quinolin-2-ylmethoxy)propoxymethyl]benzoate
CID 18008059
methyl 2-[[3-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methoxy]phenoxy]methyl]-6-methylbenzoate
CID 22241347
methyl 2-amino-6-[(3-chlorophenoxy)methyl]benzoate
CID 104825327
2-[[3-[(2,4-dichlorophenyl)methoxy]phenoxy]methyl]-6-methylbenzoic acid;ethane
CID 142024078
2-[2-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenyl]acetic acid
CID 22241469
2-[[3-[(2-ethylphenyl)methoxy]phenoxy]methyl]quinoline
CID 18727386

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[3-[(7-chloroquinolin-2-yl)methoxy]phenoxy]methyl]-6-methylbenzoate?
The IUPAC name of methyl 2-[[3-[(7-chloroquinolin-2-yl)methoxy]phenoxy]methyl]-6-methylbenzoate (CID 22241371) is methyl 2-[[3-[(7-chloroquinolin-2-yl)methoxy]phenoxy]methyl]-6-methylbenzoate.
What is the SMILES notation for methyl 2-[[3-[(7-chloroquinolin-2-yl)methoxy]phenoxy]methyl]-6-methylbenzoate?
The canonical SMILES for methyl 2-[[3-[(7-chloroquinolin-2-yl)methoxy]phenoxy]methyl]-6-methylbenzoate is COC(=O)c1c(C)cccc1COc1cccc(OCc2ccc3ccc(Cl)cc3n2)c1.
What is the InChIKey of methyl 2-[[3-[(7-chloroquinolin-2-yl)methoxy]phenoxy]methyl]-6-methylbenzoate?
The InChIKey is AZQJFJKAUAJKKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22ClNO4/c1-17-5-3-6-19(25(17)26(29)30-2)15-31-22-7-4-8-23(14-22)32-16-21-12-10-18-9-11-20(27)13-24(18)28-21/h3-14H,15-16H2,1-2H3.
What are the key properties of methyl 2-[[3-[(7-chloroquinolin-2-yl)methoxy]phenoxy]methyl]-6-methylbenzoate?
methyl 2-[[3-[(7-chloroquinolin-2-yl)methoxy]phenoxy]methyl]-6-methylbenzoate has a molecular weight of 447.92 g/mol, XLogP of 6.14, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[3-[(7-chloroquinolin-2-yl)methoxy]phenoxy]methyl]-6-methylbenzoate is sourced from PubChem (CID 22241371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).