4-[[4-(quinolin-2-ylmethoxy)phenyl]methyl]benzoyl chloride

C24H18ClNO2 — CID 19856159

IUPAC4-[[4-(quinolin-2-ylmethoxy)phenyl]methyl]benzoyl chloride
SMILESO=C(Cl)c1ccc(Cc2ccc(OCc3ccc4ccccc4n3)cc2)cc1
InChIInChI=1S/C24H18ClNO2/c25-24(27)20-9-5-17(6-10-20)15-18-7-13-22(14-8-18)28-16-21-12-11-19-3-1-2-4-23(19)26-21/h1-14H,15-16H2
InChIKeyUCBKMEQYCKDWEH-UHFFFAOYSA-N
MW387.87 g/mol
LogP5.78
Rot. Bonds6

About 4-[[4-(quinolin-2-ylmethoxy)phenyl]methyl]benzoyl chloride

4-[[4-(quinolin-2-ylmethoxy)phenyl]methyl]benzoyl chloride (PubChem CID 19856159) has the molecular formula C24H18ClNO2 and a molecular weight of 387.87 g/mol. Its IUPAC name is 4-[[4-(quinolin-2-ylmethoxy)phenyl]methyl]benzoyl chloride.

Molecular Properties

Compound Name4-[[4-(quinolin-2-ylmethoxy)phenyl]methyl]benzoyl chloride
PubChem CID19856159
Molecular FormulaC24H18ClNO2
Molecular Weight387.87 g/mol
Exact Mass387.10
IUPAC Name4-[[4-(quinolin-2-ylmethoxy)phenyl]methyl]benzoyl chloride
SMILESO=C(Cl)c1ccc(Cc2ccc(OCc3ccc4ccccc4n3)cc2)cc1
InChIInChI=1S/C24H18ClNO2/c25-24(27)20-9-5-17(6-10-20)15-18-7-13-22(14-8-18)28-16-21-12-11-19-3-1-2-4-23(19)26-21/h1-14H,15-16H2
InChIKeyUCBKMEQYCKDWEH-UHFFFAOYSA-N
XLogP5.78
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.87
LogP ≤ 55.78
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-(quinolin-2-ylmethoxy)benzoyl chloride
CID 19762439
4-[4-(quinolin-2-ylmethoxy)phenyl]benzoic acid
CID 168875197
1,5-bis[4-(quinolin-2-ylmethoxy)phenyl]pentan-3-one
CID 10792807
[4-(quinolin-2-ylmethoxy)phenyl]methanamine
CID 28773235
2-[[4-[[4-(2H-tetrazol-5-yl)phenyl]methyl]phenoxy]methyl]quinoline
CID 10293984
methanesulfonic acid;[3-[[4-(quinolin-2-ylmethoxy)phenyl]methyl]phenyl]methanol
CID 86743875
5-[4-(quinolin-2-ylmethoxy)phenyl]pentanoic acid
CID 14742700
methyl 2-[2-[4-(quinolin-2-ylmethoxy)phenyl]acetyl]oxycyclopropene-1-carboxylate
CID 118873800
cyclopropyl 2-[4-(quinolin-2-ylmethoxy)phenyl]acetate
CID 123636048
methyl 7-(quinolin-2-ylmethoxy)naphthalene-2-carboxylate
CID 23224644
4-[[4-(quinolin-2-ylmethylsulfinyl)phenoxy]methyl]benzoic acid
CID 14774161
[4-(quinolin-2-ylmethoxy)phenyl]methyl methanesulfonate
CID 152710097

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(quinolin-2-ylmethoxy)phenyl]methyl]benzoyl chloride?
The IUPAC name of 4-[[4-(quinolin-2-ylmethoxy)phenyl]methyl]benzoyl chloride (CID 19856159) is 4-[[4-(quinolin-2-ylmethoxy)phenyl]methyl]benzoyl chloride.
What is the SMILES notation for 4-[[4-(quinolin-2-ylmethoxy)phenyl]methyl]benzoyl chloride?
The canonical SMILES for 4-[[4-(quinolin-2-ylmethoxy)phenyl]methyl]benzoyl chloride is O=C(Cl)c1ccc(Cc2ccc(OCc3ccc4ccccc4n3)cc2)cc1.
What is the InChIKey of 4-[[4-(quinolin-2-ylmethoxy)phenyl]methyl]benzoyl chloride?
The InChIKey is UCBKMEQYCKDWEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18ClNO2/c25-24(27)20-9-5-17(6-10-20)15-18-7-13-22(14-8-18)28-16-21-12-11-19-3-1-2-4-23(19)26-21/h1-14H,15-16H2.
What are the key properties of 4-[[4-(quinolin-2-ylmethoxy)phenyl]methyl]benzoyl chloride?
4-[[4-(quinolin-2-ylmethoxy)phenyl]methyl]benzoyl chloride has a molecular weight of 387.87 g/mol, XLogP of 5.78, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(quinolin-2-ylmethoxy)phenyl]methyl]benzoyl chloride is sourced from PubChem (CID 19856159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).