4-(quinolin-2-ylmethoxy)benzoyl chloride

C17H12ClNO2 — CID 19762439

IUPAC4-(quinolin-2-ylmethoxy)benzoyl chloride
SMILESO=C(Cl)c1ccc(OCc2ccc3ccccc3n2)cc1
InChIInChI=1S/C17H12ClNO2/c18-17(20)13-6-9-15(10-7-13)21-11-14-8-5-12-3-1-2-4-16(12)19-14/h1-10H,11H2
InChIKeyJPWHDBDWXHAWET-UHFFFAOYSA-N
MW297.74 g/mol
LogP4.19
Rot. Bonds4

About 4-(quinolin-2-ylmethoxy)benzoyl chloride

4-(quinolin-2-ylmethoxy)benzoyl chloride (PubChem CID 19762439) has the molecular formula C17H12ClNO2 and a molecular weight of 297.74 g/mol. Its IUPAC name is 4-(quinolin-2-ylmethoxy)benzoyl chloride.

Molecular Properties

Compound Name4-(quinolin-2-ylmethoxy)benzoyl chloride
PubChem CID19762439
Molecular FormulaC17H12ClNO2
Molecular Weight297.74 g/mol
Exact Mass297.06
IUPAC Name4-(quinolin-2-ylmethoxy)benzoyl chloride
SMILESO=C(Cl)c1ccc(OCc2ccc3ccccc3n2)cc1
InChIInChI=1S/C17H12ClNO2/c18-17(20)13-6-9-15(10-7-13)21-11-14-8-5-12-3-1-2-4-16(12)19-14/h1-10H,11H2
InChIKeyJPWHDBDWXHAWET-UHFFFAOYSA-N
XLogP4.19
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.74
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}

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Related Compounds

4-[[4-(quinolin-2-ylmethoxy)phenyl]methyl]benzoyl chloride
CID 19856159
4-[4-(quinolin-2-ylmethoxy)phenyl]benzoic acid
CID 168875197
methyl 7-(quinolin-2-ylmethoxy)naphthalene-2-carboxylate
CID 23224644
N-[4-(quinolin-2-ylmethoxy)phenyl]acetamide
CID 2747568
1,5-bis[4-(quinolin-2-ylmethoxy)phenyl]pentan-3-one
CID 10792807
[4-(quinolin-2-ylmethoxy)phenyl]-(3-tricyclo[2.2.1.02,6]heptanyl)methanone;dihydrochloride
CID 110188753
[4-(quinolin-2-ylmethoxy)phenyl]methanamine
CID 28773235
2-chloro-5-(quinolin-2-ylmethoxy)benzoic acid
CID 110168584
[3-[4-(quinolin-2-ylmethoxy)benzoyl]phenyl] acetate
CID 57179399
2-[[4-[[2-(chloromethyl)phenyl]methoxy]phenoxy]methyl]quinoline
CID 14650385
3,3-bis[4-(quinolin-2-ylmethoxy)phenyl]propanethioic S-acid
CID 19069087
2-methyl-4-(quinolin-2-ylmethoxy)benzoic acid
CID 67896812

Frequently Asked Questions

What is the IUPAC name of 4-(quinolin-2-ylmethoxy)benzoyl chloride?
The IUPAC name of 4-(quinolin-2-ylmethoxy)benzoyl chloride (CID 19762439) is 4-(quinolin-2-ylmethoxy)benzoyl chloride.
What is the SMILES notation for 4-(quinolin-2-ylmethoxy)benzoyl chloride?
The canonical SMILES for 4-(quinolin-2-ylmethoxy)benzoyl chloride is O=C(Cl)c1ccc(OCc2ccc3ccccc3n2)cc1.
What is the InChIKey of 4-(quinolin-2-ylmethoxy)benzoyl chloride?
The InChIKey is JPWHDBDWXHAWET-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClNO2/c18-17(20)13-6-9-15(10-7-13)21-11-14-8-5-12-3-1-2-4-16(12)19-14/h1-10H,11H2.
What are the key properties of 4-(quinolin-2-ylmethoxy)benzoyl chloride?
4-(quinolin-2-ylmethoxy)benzoyl chloride has a molecular weight of 297.74 g/mol, XLogP of 4.19, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(quinolin-2-ylmethoxy)benzoyl chloride is sourced from PubChem (CID 19762439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).