methyl 7-(quinolin-2-ylmethoxy)naphthalene-2-carboxylate

C22H17NO3 — CID 23224644

IUPACmethyl 7-(quinolin-2-ylmethoxy)naphthalene-2-carboxylate
SMILESCOC(=O)c1ccc2ccc(OCc3ccc4ccccc4n3)cc2c1
InChIInChI=1S/C22H17NO3/c1-25-22(24)17-7-6-15-9-11-20(13-18(15)12-17)26-14-19-10-8-16-4-2-3-5-21(16)23-19/h2-13H,14H2,1H3
InChIKeyYLJXXDDCORVRBW-UHFFFAOYSA-N
MW343.38 g/mol
LogP4.75
Rot. Bonds4

About methyl 7-(quinolin-2-ylmethoxy)naphthalene-2-carboxylate

methyl 7-(quinolin-2-ylmethoxy)naphthalene-2-carboxylate (PubChem CID 23224644) has the molecular formula C22H17NO3 and a molecular weight of 343.38 g/mol. Its IUPAC name is methyl 7-(quinolin-2-ylmethoxy)naphthalene-2-carboxylate.

Molecular Properties

Compound Namemethyl 7-(quinolin-2-ylmethoxy)naphthalene-2-carboxylate
PubChem CID23224644
Molecular FormulaC22H17NO3
Molecular Weight343.38 g/mol
Exact Mass343.12
IUPAC Namemethyl 7-(quinolin-2-ylmethoxy)naphthalene-2-carboxylate
SMILESCOC(=O)c1ccc2ccc(OCc3ccc4ccccc4n3)cc2c1
InChIInChI=1S/C22H17NO3/c1-25-22(24)17-7-6-15-9-11-20(13-18(15)12-17)26-14-19-10-8-16-4-2-3-5-21(16)23-19/h2-13H,14H2,1H3
InChIKeyYLJXXDDCORVRBW-UHFFFAOYSA-N
XLogP4.75
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(quinolin-2-ylmethoxy)benzoyl chloride
CID 19762439
2-methyl-4-(quinolin-2-ylmethoxy)benzoic acid
CID 67896812
ethane;methyl naphthalene-2-carboxylate
CID 143895262
methyl 4-[4-[[6-(quinolin-2-ylmethoxy)naphthalene-2-carbonyl]amino]phenyl]butanoate
CID 54277060
N-[4-(quinolin-2-ylmethoxy)phenyl]acetamide
CID 2747568
4-[4-(quinolin-2-ylmethoxy)phenyl]benzoic acid
CID 168875197
4-[[4-(quinolin-2-ylmethoxy)phenyl]methyl]benzoyl chloride
CID 19856159
4-[2-[[7-(quinolin-2-ylmethoxy)naphthalen-2-yl]sulfonylamino]ethyl]benzoic acid
CID 10075131
methyl 1-[4-(quinolin-2-ylmethoxy)phenyl]cyclopentane-1-carboxylate
CID 15052569
methyl 2-[2-[4-(quinolin-2-ylmethoxy)phenyl]acetyl]oxycyclopropene-1-carboxylate
CID 118873800
2-chloro-5-(quinolin-2-ylmethoxy)benzoic acid
CID 110168584
methyl 4-[(8-hydroxyquinolin-2-yl)methoxy]benzoate
CID 139816783

Frequently Asked Questions

What is the IUPAC name of methyl 7-(quinolin-2-ylmethoxy)naphthalene-2-carboxylate?
The IUPAC name of methyl 7-(quinolin-2-ylmethoxy)naphthalene-2-carboxylate (CID 23224644) is methyl 7-(quinolin-2-ylmethoxy)naphthalene-2-carboxylate.
What is the SMILES notation for methyl 7-(quinolin-2-ylmethoxy)naphthalene-2-carboxylate?
The canonical SMILES for methyl 7-(quinolin-2-ylmethoxy)naphthalene-2-carboxylate is COC(=O)c1ccc2ccc(OCc3ccc4ccccc4n3)cc2c1.
What is the InChIKey of methyl 7-(quinolin-2-ylmethoxy)naphthalene-2-carboxylate?
The InChIKey is YLJXXDDCORVRBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17NO3/c1-25-22(24)17-7-6-15-9-11-20(13-18(15)12-17)26-14-19-10-8-16-4-2-3-5-21(16)23-19/h2-13H,14H2,1H3.
What are the key properties of methyl 7-(quinolin-2-ylmethoxy)naphthalene-2-carboxylate?
methyl 7-(quinolin-2-ylmethoxy)naphthalene-2-carboxylate has a molecular weight of 343.38 g/mol, XLogP of 4.75, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-(quinolin-2-ylmethoxy)naphthalene-2-carboxylate is sourced from PubChem (CID 23224644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).