5-[(3,4-dichlorophenyl)-quinolin-6-yloxymethyl]-1,3-oxazole

C19H12Cl2N2O2 — CID 155087016

IUPAC5-[(3,4-dichlorophenyl)-quinolin-6-yloxymethyl]-1,3-oxazole
SMILESClc1ccc(C(Oc2ccc3ncccc3c2)c2cnco2)cc1Cl
InChIInChI=1S/C19H12Cl2N2O2/c20-15-5-3-13(9-16(15)21)19(18-10-22-11-24-18)25-14-4-6-17-12(8-14)2-1-7-23-17/h1-11,19H
InChIKeyHCJOYWIVPTUZQF-UHFFFAOYSA-N
MW371.22 g/mol
LogP5.70
Rot. Bonds4

About 5-[(3,4-dichlorophenyl)-quinolin-6-yloxymethyl]-1,3-oxazole

5-[(3,4-dichlorophenyl)-quinolin-6-yloxymethyl]-1,3-oxazole (PubChem CID 155087016) has the molecular formula C19H12Cl2N2O2 and a molecular weight of 371.22 g/mol. Its IUPAC name is 5-[(3,4-dichlorophenyl)-quinolin-6-yloxymethyl]-1,3-oxazole.

Molecular Properties

Compound Name5-[(3,4-dichlorophenyl)-quinolin-6-yloxymethyl]-1,3-oxazole
PubChem CID155087016
Molecular FormulaC19H12Cl2N2O2
Molecular Weight371.22 g/mol
Exact Mass370.03
IUPAC Name5-[(3,4-dichlorophenyl)-quinolin-6-yloxymethyl]-1,3-oxazole
SMILESClc1ccc(C(Oc2ccc3ncccc3c2)c2cnco2)cc1Cl
InChIInChI=1S/C19H12Cl2N2O2/c20-15-5-3-13(9-16(15)21)19(18-10-22-11-24-18)25-14-4-6-17-12(8-14)2-1-7-23-17/h1-11,19H
InChIKeyHCJOYWIVPTUZQF-UHFFFAOYSA-N
XLogP5.70
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.22
LogP ≤ 55.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[phenyl(quinolin-6-yloxy)methyl]-1,3-oxazol-4-yl]methanol
CID 155087050
5-[(5-fluoro-2-pyridinyl)-quinolin-6-yloxymethyl]-3-methyl-1,2,4-oxadiazole
CID 138517407
[(3-chloro-4-methylphenyl)-quinolin-6-ylmethyl]hydrazine
CID 105327312
(3-chloro-4-iodophenyl)-quinolin-6-ylmethanamine
CID 103215982
6-[(2-methylpropan-2-yl)oxy]quinoline
CID 59854598
ethene;6-methoxyquinoline
CID 174599262
2-[[5-(difluoromethoxy)-2-pyridinyl]-quinolin-6-yloxymethyl]-1,3,4-thiadiazole
CID 155087019
3-chloro-4-quinolin-6-yloxyaniline
CID 13490789
6-(3-quinolin-6-ylbutan-2-yl)quinoline
CID 20658775
6-phosphorosooxyquinoline
CID 21130862
quinolin-6-yl formate
CID 57289431
7-(dichloromethoxy)quinoline
CID 174788382

Frequently Asked Questions

What is the IUPAC name of 5-[(3,4-dichlorophenyl)-quinolin-6-yloxymethyl]-1,3-oxazole?
The IUPAC name of 5-[(3,4-dichlorophenyl)-quinolin-6-yloxymethyl]-1,3-oxazole (CID 155087016) is 5-[(3,4-dichlorophenyl)-quinolin-6-yloxymethyl]-1,3-oxazole.
What is the SMILES notation for 5-[(3,4-dichlorophenyl)-quinolin-6-yloxymethyl]-1,3-oxazole?
The canonical SMILES for 5-[(3,4-dichlorophenyl)-quinolin-6-yloxymethyl]-1,3-oxazole is Clc1ccc(C(Oc2ccc3ncccc3c2)c2cnco2)cc1Cl.
What is the InChIKey of 5-[(3,4-dichlorophenyl)-quinolin-6-yloxymethyl]-1,3-oxazole?
The InChIKey is HCJOYWIVPTUZQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12Cl2N2O2/c20-15-5-3-13(9-16(15)21)19(18-10-22-11-24-18)25-14-4-6-17-12(8-14)2-1-7-23-17/h1-11,19H.
What are the key properties of 5-[(3,4-dichlorophenyl)-quinolin-6-yloxymethyl]-1,3-oxazole?
5-[(3,4-dichlorophenyl)-quinolin-6-yloxymethyl]-1,3-oxazole has a molecular weight of 371.22 g/mol, XLogP of 5.70, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,4-dichlorophenyl)-quinolin-6-yloxymethyl]-1,3-oxazole is sourced from PubChem (CID 155087016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).