2-(quinolin-2-ylmethoxy)benzoate

C17H12NO3- — CID 6919840

IUPAC2-(quinolin-2-ylmethoxy)benzoate
SMILESO=C([O-])c1ccccc1OCc1ccc2ccccc2n1
InChIInChI=1S/C17H13NO3/c19-17(20)14-6-2-4-8-16(14)21-11-13-10-9-12-5-1-3-7-15(12)18-13/h1-10H,11H2,(H,19,20)/p-1
InChIKeyNXTAUIVDUGDBKI-UHFFFAOYSA-M
MW278.29 g/mol
LogP2.18
Rot. Bonds4

About 2-(quinolin-2-ylmethoxy)benzoate

2-(quinolin-2-ylmethoxy)benzoate (PubChem CID 6919840) has the molecular formula C17H12NO3- and a molecular weight of 278.29 g/mol. Its IUPAC name is 2-(quinolin-2-ylmethoxy)benzoate.

Molecular Properties

Compound Name2-(quinolin-2-ylmethoxy)benzoate
PubChem CID6919840
Molecular FormulaC17H12NO3-
Molecular Weight278.29 g/mol
Exact Mass278.08
IUPAC Name2-(quinolin-2-ylmethoxy)benzoate
SMILESO=C([O-])c1ccccc1OCc1ccc2ccccc2n1
InChIInChI=1S/C17H13NO3/c19-17(20)14-6-2-4-8-16(14)21-11-13-10-9-12-5-1-3-7-15(12)18-13/h1-10H,11H2,(H,19,20)/p-1
InChIKeyNXTAUIVDUGDBKI-UHFFFAOYSA-M
XLogP2.18
TPSA62.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.29
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(quinolin-2-ylmethoxy)thiophene-2-carboxylic acid
CID 63338487
4-methoxy-3-(quinolin-2-ylmethoxy)benzoic acid
CID 5074844
N-(1-benzylpiperidin-4-yl)-2-(quinolin-2-ylmethoxy)benzamide
CID 19762442
2-[[6-[(2-carboxyphenoxy)methyl]-2-pyridinyl]methoxy]benzoic acid
CID 15529741
3-[2-[[4-(quinolin-2-ylmethoxy)phenyl]methoxy]phenoxy]butan-2-one
CID 59117219
4-(quinolin-2-ylmethoxy)benzoyl chloride
CID 19762439
2-chloro-5-(quinolin-2-ylmethoxy)benzoic acid
CID 110168584
2-methyl-4-(quinolin-2-ylmethoxy)benzoic acid
CID 67896812
1,5-bis[4-(quinolin-2-ylmethoxy)phenyl]pentan-3-one
CID 10792807
[6-methyl-3-(quinolin-2-ylmethoxy)-2-pyridinyl]methanol
CID 79157803
4-[4-(quinolin-2-ylmethoxy)phenyl]benzoic acid
CID 168875197
N-[4-(quinolin-2-ylmethoxy)phenyl]acetamide
CID 2747568

Frequently Asked Questions

What is the IUPAC name of 2-(quinolin-2-ylmethoxy)benzoate?
The IUPAC name of 2-(quinolin-2-ylmethoxy)benzoate (CID 6919840) is 2-(quinolin-2-ylmethoxy)benzoate.
What is the SMILES notation for 2-(quinolin-2-ylmethoxy)benzoate?
The canonical SMILES for 2-(quinolin-2-ylmethoxy)benzoate is O=C([O-])c1ccccc1OCc1ccc2ccccc2n1.
What is the InChIKey of 2-(quinolin-2-ylmethoxy)benzoate?
The InChIKey is NXTAUIVDUGDBKI-UHFFFAOYSA-M. The full InChI is InChI=1S/C17H13NO3/c19-17(20)14-6-2-4-8-16(14)21-11-13-10-9-12-5-1-3-7-15(12)18-13/h1-10H,11H2,(H,19,20)/p-1.
What are the key properties of 2-(quinolin-2-ylmethoxy)benzoate?
2-(quinolin-2-ylmethoxy)benzoate has a molecular weight of 278.29 g/mol, XLogP of 2.18, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(quinolin-2-ylmethoxy)benzoate is sourced from PubChem (CID 6919840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).